(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide

C19H35N3O — CID 164635769

IUPAC(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide
SMILESCC1CCN(C[C@H]2CCCCCN2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H35N3O/c1-16-10-13-21(14-11-16)15-18-9-3-2-6-12-22(18)19(23)20-17-7-4-5-8-17/h16-18H,2-15H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyJBGRQVBTQGBXOR-GOSISDBHSA-N
MW321.51 g/mol
LogP3.62
Rot. Bonds3

About (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide

(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide (PubChem CID 164635769) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide
PubChem CID164635769
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide
SMILESCC1CCN(C[C@H]2CCCCCN2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H35N3O/c1-16-10-13-21(14-11-16)15-18-9-3-2-6-12-22(18)19(23)20-17-7-4-5-8-17/h16-18H,2-15H2,1H3,(H,20,23)/t18-/m1/s1
InChIKeyJBGRQVBTQGBXOR-GOSISDBHSA-N
XLogP3.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethyl-2-[(4-methylpiperidin-1-YL)methyl]azepane-1-carboxamide
CID 124042363
2-[(4-Methylpiperidin-1-YL)methyl]-N-propylazepane-1-carboxamide
CID 124072896
N-Cyclohexyl-4-[(4-methylpiperidin-1-YL)methyl]azepane-1-carboxamide
CID 124072912
N-cycloheptyl-4-methylpiperidine-1-carboxamide
CID 108987971
3-pyrrolidin-1-yl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]azepane-1-carboxamide
CID 126776179
4-cyclopentyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,4-diazepane-1-carboxamide
CID 126790099
N-{1-[(4-methylpiperidin-1-yl)sulfonyl]azepan-3-yl}pyrrolidine-1-carboxamide
CID 70769370
4,4-dimethyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]azepane-1-carboxamide
CID 71868301
N-cyclopentyl-4-methylpiperidine-1-carboxamide
CID 17174403
2-Cyclopentylpiperazine-1-carboxamide
CID 22129458
N,4-dimethyl-3-(methylamino)piperidine-1-carboxamide
CID 57479754
1-Cyclopentyl-1,3-dimethyl-3-(2-piperidin-4-ylethyl)urea
CID 66990283

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide (CID 164635769) is (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide is CC1CCN(C[C@H]2CCCCCN2C(=O)NC2CCCC2)CC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide?
The InChIKey is JBGRQVBTQGBXOR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H35N3O/c1-16-10-13-21(14-11-16)15-18-9-3-2-6-12-22(18)19(23)20-17-7-4-5-8-17/h16-18H,2-15H2,1H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide?
(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide has a molecular weight of 321.51 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 164635769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).