(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide

C16H27N3O2 — CID 97015840

IUPAC(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H27N3O2/c20-15(19-9-2-1-3-10-19)12-18-8-4-5-13(11-18)16(21)17-14-6-7-14/h13-14H,1-12H2,(H,17,21)/t13-/m0/s1
InChIKeyBLWJRTQPYUDYPB-ZDUSSCGKSA-N
MW293.41 g/mol
LogP0.99
Rot. Bonds4

About (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 97015840) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID97015840
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C16H27N3O2/c20-15(19-9-2-1-3-10-19)12-18-8-4-5-13(11-18)16(21)17-14-6-7-14/h13-14H,1-12H2,(H,17,21)/t13-/m0/s1
InChIKeyBLWJRTQPYUDYPB-ZDUSSCGKSA-N
XLogP0.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71664643
N-cyclohexyl-1-cyclopropyl-6-oxo-3-piperidinecarboxamide
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(2S)-aminobutyryl-(S)-nipecotamide
CID 44421594
1-cyclopentyl-6-oxo-N-[2-(2-oxo-1-piperidinyl)ethyl]-3-piperidinecarboxamide
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CID 51361430
(3S,6S)-4-(cyclopropanecarbonyl)-3,6-diisobutyl-piperazin-2-one
CID 76325279
(4-Methylpiperazin-1-yl)(piperidin-3-yl)methanone
CID 2794687
2-methyl-N-[3-[2-(3-methylpiperidin-1-yl)propylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 51081022
N-cyclopropyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4050955
N~3~-cyclopropyl-1-propionyl-3-piperidinecarboxamide
CID 53015063
(2R)-2-cyclopropyl-N-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 75529698
N-propan-2-yl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 156601541

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide (CID 97015840) is (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(CC(=O)N2CCCCC2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is BLWJRTQPYUDYPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15(19-9-2-1-3-10-19)12-18-8-4-5-13(11-18)16(21)17-14-6-7-14/h13-14H,1-12H2,(H,17,21)/t13-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97015840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).