N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide

C24H28N4O2 — CID 171628120

IUPACN-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17(2)13-23(29)26-21-15-27(12-10-19(21)18-7-4-3-5-8-18)24(30)20-9-6-11-28-16-25-14-22(20)28/h3-9,11,14,16-17,19,21H,10,12-13,15H2,1-2H3,(H,26,29)/t19-,21+/m0/s1
InChIKeyPLXTUSXVZNBUID-PZJWPPBQSA-N
MW404.51 g/mol
LogP3.49
Rot. Bonds5

About N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide

N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide (PubChem CID 171628120) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
PubChem CID171628120
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1
InChIInChI=1S/C24H28N4O2/c1-17(2)13-23(29)26-21-15-27(12-10-19(21)18-7-4-3-5-8-18)24(30)20-9-6-11-28-16-25-14-22(20)28/h3-9,11,14,16-17,19,21H,10,12-13,15H2,1-2H3,(H,26,29)/t19-,21+/m0/s1
InChIKeyPLXTUSXVZNBUID-PZJWPPBQSA-N
XLogP3.49
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2,2-difluoroacetamide
CID 171628250
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-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-1-methylpiperidine-2-carboxamide
CID 171628073
(2R)-N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-propan-2-ylpyrrolidine-2-carboxamide
CID 171628048
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
(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
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
N-[(3S,4S)-4-(3,5-difluorophenyl)-1-(pyridine-3-carbonyl)piperidin-3-yl]-3-methylbutanamide
CID 171628182
(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
N-[(3S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 171627868

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide (CID 171628120) is N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide is CC(C)CC(=O)N[C@@H]1CN(C(=O)c2cccn3cncc23)CC[C@H]1c1ccccc1.
What is the InChIKey of N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide?
The InChIKey is PLXTUSXVZNBUID-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17(2)13-23(29)26-21-15-27(12-10-19(21)18-7-4-3-5-8-18)24(30)20-9-6-11-28-16-25-14-22(20)28/h3-9,11,14,16-17,19,21H,10,12-13,15H2,1-2H3,(H,26,29)/t19-,21+/m0/s1.
What are the key properties of N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide?
N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide has a molecular weight of 404.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(imidazo[1,5-a]pyridine-8-carbonyl)-4-phenylpiperidin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 171628120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).