N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide

C14H27N3O — CID 110196370

IUPACN-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1CN1CCCC1
InChIInChI=1S/C14H27N3O/c1-2-15-14(18)17-11-5-3-4-8-13(17)12-16-9-6-7-10-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyGDKCJTDAFPZIIV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.06
Rot. Bonds3

About N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide

N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide (PubChem CID 110196370) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
PubChem CID110196370
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1CN1CCCC1
InChIInChI=1S/C14H27N3O/c1-2-15-14(18)17-11-5-3-4-8-13(17)12-16-9-6-7-10-16/h13H,2-12H2,1H3,(H,15,18)
InChIKeyGDKCJTDAFPZIIV-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(morpholin-4-ylmethyl)azepane-1-carboxamide
CID 110196376
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-ethylazepane-1-carboxamide
CID 91919809
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
N-cyclopentyl-2-[(4-methoxypiperidin-1-yl)methyl]azepane-1-carboxamide
CID 91909230
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
2-ethylazepane-1-carbohydrazide
CID 104691127
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
2-ethyl-N-(methoxymethyl)piperidine-1-carboxamide
CID 108893599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
The IUPAC name of N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide (CID 110196370) is N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
The canonical SMILES for N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide is CCNC(=O)N1CCCCCC1CN1CCCC1.
What is the InChIKey of N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
The InChIKey is GDKCJTDAFPZIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-15-14(18)17-11-5-3-4-8-13(17)12-16-9-6-7-10-16/h13H,2-12H2,1H3,(H,15,18).
What are the key properties of N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide?
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide is sourced from PubChem (CID 110196370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).