1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

C22H39N3O2 — CID 42881490

IUPAC1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C22H39N3O2/c1-17(2)7-12-23-21(26)18-8-13-24(14-9-18)20-10-15-25(16-11-20)22(27)19-5-3-4-6-19/h17-20H,3-16H2,1-2H3,(H,23,26)
InChIKeyWWYRFYVSGOUHDR-UHFFFAOYSA-N
MW377.57 g/mol
LogP3.04
Rot. Bonds6

About 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 42881490) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID42881490
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C22H39N3O2/c1-17(2)7-12-23-21(26)18-8-13-24(14-9-18)20-10-15-25(16-11-20)22(27)19-5-3-4-6-19/h17-20H,3-16H2,1-2H3,(H,23,26)
InChIKeyWWYRFYVSGOUHDR-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42693604
1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881485
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881491
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
1-(cyclobutanecarbonyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 113003322
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
N-[2-(3-methylbutylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 112995138
1-(2-amino-2-oxoethyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16909145

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 42881490) is 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(C2CCN(C(=O)C3CCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is WWYRFYVSGOUHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-17(2)7-12-23-21(26)18-8-13-24(14-9-18)20-10-15-25(16-11-20)22(27)19-5-3-4-6-19/h17-20H,3-16H2,1-2H3,(H,23,26).
What are the key properties of 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 377.57 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 42881490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).