(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide

C17H28N2O2 — CID 97316640

IUPAC(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
SMILESCC[C@H](CC1CC1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H28N2O2/c1-2-15(10-12-5-6-12)18-16(20)14-4-3-9-19(11-14)17(21)13-7-8-13/h12-15H,2-11H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyAGDRPSZMSFDHFV-HUUCEWRRSA-N
MW292.42 g/mol
LogP2.33
Rot. Bonds6

About (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide

(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide (PubChem CID 97316640) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
PubChem CID97316640
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
SMILESCC[C@H](CC1CC1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H28N2O2/c1-2-15(10-12-5-6-12)18-16(20)14-4-3-9-19(11-14)17(21)13-7-8-13/h12-15H,2-11H2,1H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyAGDRPSZMSFDHFV-HUUCEWRRSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropanecarbonyl)-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43500435
3-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 43172733
1-acetyl-N-(1-hydroxybutan-2-yl)piperidine-3-carboxamide
CID 43418422
N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 115626438
1-(cyclopropanecarbonyl)-N-(1-hydroxy-3-methylbutan-2-yl)piperidine-3-carboxamide
CID 79252734
N-(1-hydroxybutan-2-yl)-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43427722
1-(cyclopropanecarbonyl)-N-(1-hydroxy-4-methylpentan-3-yl)piperidine-3-carboxamide
CID 103750955
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227
1-(cyclopropanecarbonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120654768
[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 6422642
1-(cyclopropanecarbonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47030909
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide (CID 97316640) is (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide is CC[C@H](CC1CC1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide?
The InChIKey is AGDRPSZMSFDHFV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-15(10-12-5-6-12)18-16(20)14-4-3-9-19(11-14)17(21)13-7-8-13/h12-15H,2-11H2,1H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide?
(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 97316640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).