N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide

C18H27N3O3 — CID 118762858

IUPACN-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H27N3O3/c1-13(2)12-17(20-14(3)22)18(23)21-10-6-16(7-11-21)24-15-4-8-19-9-5-15/h4-5,8-9,13,16-17H,6-7,10-12H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyIHVABCACMVSAQM-KRWDZBQOSA-N
MW333.43 g/mol
LogP2.00
Rot. Bonds6

About N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide

N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide (PubChem CID 118762858) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide
PubChem CID118762858
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C18H27N3O3/c1-13(2)12-17(20-14(3)22)18(23)21-10-6-16(7-11-21)24-15-4-8-19-9-5-15/h4-5,8-9,13,16-17H,6-7,10-12H2,1-3H3,(H,20,22)/t17-/m0/s1
InChIKeyIHVABCACMVSAQM-KRWDZBQOSA-N
XLogP2.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)propan-2-yl]carbamate
CID 124727874
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-2-yl]acetamide
CID 91830232
N-[4-methyl-1-oxo-1-[4-(4-propyltriazol-1-yl)piperidin-1-yl]pentan-2-yl]acetamide
CID 75259177
4-(4-pyridin-4-yloxycyclohexyl)oxypiperidine-1-carboxylic acid
CID 123525099
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
2-(4-propan-2-ylsulfanylphenyl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 91815931
1-[4-(3-pyridin-4-yloxyazetidin-1-yl)piperidin-1-yl]ethanone
CID 154829496
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 118781326

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide (CID 118762858) is N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide is CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide?
The InChIKey is IHVABCACMVSAQM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)12-17(20-14(3)22)18(23)21-10-6-16(7-11-21)24-15-4-8-19-9-5-15/h4-5,8-9,13,16-17H,6-7,10-12H2,1-3H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide?
N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-(4-pyridin-4-yloxypiperidin-1-yl)pentan-2-yl]acetamide is sourced from PubChem (CID 118762858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).