2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C17H23N3O3 — CID 134698289

IUPAC2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(CN1CCCCC1=O)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C17H23N3O3/c21-16(10-20-8-2-1-3-17(20)22)19-15-12-23-11-14(15)9-13-4-6-18-7-5-13/h4-7,14-15H,1-3,8-12H2,(H,19,21)/t14-,15-/m1/s1
InChIKeyULVFZJOELHURAK-HUUCEWRRSA-N
MW317.39 g/mol
LogP0.77
Rot. Bonds5

About 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 134698289) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID134698289
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESO=C(CN1CCCCC1=O)N[C@@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C17H23N3O3/c21-16(10-20-8-2-1-3-17(20)22)19-15-12-23-11-14(15)9-13-4-6-18-7-5-13/h4-7,14-15H,1-3,8-12H2,(H,19,21)/t14-,15-/m1/s1
InChIKeyULVFZJOELHURAK-HUUCEWRRSA-N
XLogP0.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide with MolForge

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Related Compounds

2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134709446
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135107430

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 134698289) is 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is O=C(CN1CCCCC1=O)N[C@@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is ULVFZJOELHURAK-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(10-20-8-2-1-3-17(20)22)19-15-12-23-11-14(15)9-13-4-6-18-7-5-13/h4-7,14-15H,1-3,8-12H2,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 134698289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).