tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate

C18H27N3O3 — CID 122158230

IUPACtert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)20-11-8-16(22)21-12-4-5-15(13-21)14-6-9-19-10-7-14/h6-7,9-10,15H,4-5,8,11-13H2,1-3H3,(H,20,23)
InChIKeyILUCKICVEYBLRX-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.70
Rot. Bonds4

About tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate

tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate (PubChem CID 122158230) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
PubChem CID122158230
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Nametert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)N1CCCC(c2ccncc2)C1
InChIInChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)20-11-8-16(22)21-12-4-5-15(13-21)14-6-9-19-10-7-14/h6-7,9-10,15H,4-5,8,11-13H2,1-3H3,(H,20,23)
InChIKeyILUCKICVEYBLRX-UHFFFAOYSA-N
XLogP2.70
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]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

tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]carbamate
CID 78813690
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(3-phenylpiperidin-1-yl)pentanoic acid
CID 166748879
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405
CID 156858277
CID 156858277
tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
CID 164832714
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979
tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
CID 68742391

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate (CID 122158230) is tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)N1CCCC(c2ccncc2)C1.
What is the InChIKey of tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate?
The InChIKey is ILUCKICVEYBLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)20-11-8-16(22)21-12-4-5-15(13-21)14-6-9-19-10-7-14/h6-7,9-10,15H,4-5,8,11-13H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate?
tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate has a molecular weight of 333.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate is sourced from PubChem (CID 122158230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).