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

C19H35N3O2 — CID 91909230

IUPACN-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
SMILESCOC1CCN(CC2CCCCCN2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-24-18-10-13-21(14-11-18)15-17-9-3-2-6-12-22(17)19(23)20-16-7-4-5-8-16/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyMRVAWZMAOMMJEO-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.99
Rot. Bonds4

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

N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide (PubChem CID 91909230) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
PubChem CID91909230
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
SMILESCOC1CCN(CC2CCCCCN2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H35N3O2/c1-24-18-10-13-21(14-11-18)15-17-9-3-2-6-12-22(17)19(23)20-16-7-4-5-8-16/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyMRVAWZMAOMMJEO-UHFFFAOYSA-N
XLogP2.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 100854288
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
N-cyclopentyl-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 78942638
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
2-(aminomethyl)-N-cyclopropylpiperidine-1-carboxamide
CID 62699493
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94798779

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide (CID 91909230) is N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide is COC1CCN(CC2CCCCCN2C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide?
The InChIKey is MRVAWZMAOMMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-24-18-10-13-21(14-11-18)15-17-9-3-2-6-12-22(17)19(23)20-16-7-4-5-8-16/h16-18H,2-15H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide?
N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide is sourced from PubChem (CID 91909230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).