tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate

C27H33N5O4 — CID 171628109

IUPACtert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1
InChIInChI=1S/C27H33N5O4/c1-18(29-26(35)36-27(2,3)4)24(33)30-22-16-31(14-12-20(22)19-9-6-5-7-10-19)25(34)21-11-8-13-32-17-28-15-23(21)32/h5-11,13,15,17-18,20,22H,12,14,16H2,1-4H3,(H,29,35)(H,30,33)/t18-,20+,22-/m1/s1
InChIKeyIPWDOQFNPLIKLR-KAGYGMCKSA-N
MW491.59 g/mol
LogP3.36
Rot. Bonds5

About tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 171628109) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate
PubChem CID171628109
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Nametert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1
InChIInChI=1S/C27H33N5O4/c1-18(29-26(35)36-27(2,3)4)24(33)30-22-16-31(14-12-20(22)19-9-6-5-7-10-19)25(34)21-11-8-13-32-17-28-15-23(21)32/h5-11,13,15,17-18,20,22H,12,14,16H2,1-4H3,(H,29,35)(H,30,33)/t18-,20+,22-/m1/s1
InChIKeyIPWDOQFNPLIKLR-KAGYGMCKSA-N
XLogP3.36
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
CID 171628120
N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide
CID 171628250
tert-butyl (2R)-4,4-difluoro-2-[[(3S,4S)-4-(3-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 171628219
N-[(3S,4S)-4-(3-chlorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-(1,1,1-trifluoropropan-2-ylamino)acetamide
CID 171628096
N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-1,4,6,7-tetrahydropyrano[4,3-b]pyrrole-2-carboxamide
CID 171627859
(2R)-N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 171628213
(2S)-N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-propan-2-ylpiperidin-3-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 171628245
tert-butyl N-[(3R,4R)-4-phenyl-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]carbamate
CID 142693881
(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide
CID 171628073
N-[(3S,4S)-4-(3-chloro-5-fluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-[(3S)-3-cyano-3-methylpyrrolidin-1-yl]acetamide
CID 171628172
tert-butyl N-[(3S,4R)-1-(2-methoxypropyl)-4-phenylpyrrolidin-3-yl]carbamate
CID 175109136
N-[1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 171628019

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate (CID 171628109) is tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is IPWDOQFNPLIKLR-KAGYGMCKSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-18(29-26(35)36-27(2,3)4)24(33)30-22-16-31(14-12-20(22)19-9-6-5-7-10-19)25(34)21-11-8-13-32-17-28-15-23(21)32/h5-11,13,15,17-18,20,22H,12,14,16H2,1-4H3,(H,29,35)(H,30,33)/t18-,20+,22-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 491.59 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 171628109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).