(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide

C16H27N3O4 — CID 95270738

IUPAC(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
SMILESO=C1CCCN1CCCNC(=O)N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C16H27N3O4/c20-14-5-2-7-18(14)9-3-6-17-16(21)19-8-1-4-13(12-19)15-22-10-11-23-15/h13,15H,1-12H2,(H,17,21)/t13-/m0/s1
InChIKeyCOXPRTSESUGVIH-ZDUSSCGKSA-N
MW325.41 g/mol
LogP0.79
Rot. Bonds5

About (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide

(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 95270738) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
PubChem CID95270738
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide
SMILESO=C1CCCN1CCCNC(=O)N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C16H27N3O4/c20-14-5-2-7-18(14)9-3-6-17-16(21)19-8-1-4-13(12-19)15-22-10-11-23-15/h13,15H,1-12H2,(H,17,21)/t13-/m0/s1
InChIKeyCOXPRTSESUGVIH-ZDUSSCGKSA-N
XLogP0.79
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
CID 56505796
(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
CID 95270427
2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 167933775
3-(1,3-dioxolan-2-yl)-N-prop-2-ynylpiperidine-1-carboxamide
CID 56553598
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 96998898
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
(3aR,6aS)-2-(4-ethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide;ethane
CID 153372258
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119262248
1-(4-chlorobenzoyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42906722
cis-(1R,2S)-2-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42546160
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide (CID 95270738) is (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide is O=C1CCCN1CCCNC(=O)N1CCC[C@H](C2OCCO2)C1.
What is the InChIKey of (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is COXPRTSESUGVIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O4/c20-14-5-2-7-18(14)9-3-6-17-16(21)19-8-1-4-13(12-19)15-22-10-11-23-15/h13,15H,1-12H2,(H,17,21)/t13-/m0/s1.
What are the key properties of (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide?
(3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,3-dioxolan-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 95270738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).