N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide

C14H27N3O — CID 63141304

IUPACN-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCN2CCCCCC2)CCNC1
InChIInChI=1S/C14H27N3O/c1-14(6-7-15-12-14)13(18)16-8-11-17-9-4-2-3-5-10-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyGJZHIQXOIYOUKS-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide

N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 63141304) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID63141304
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCN2CCCCCC2)CCNC1
InChIInChI=1S/C14H27N3O/c1-14(6-7-15-12-14)13(18)16-8-11-17-9-4-2-3-5-10-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyGJZHIQXOIYOUKS-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
4-methyl-N-(2-pyrrolidin-1-ylethyl)oxane-4-carboxamide
CID 70985347
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119719489
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
3-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55165904
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide (CID 63141304) is N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCCN2CCCCCC2)CCNC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is GJZHIQXOIYOUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(6-7-15-12-14)13(18)16-8-11-17-9-4-2-3-5-10-17/h15H,2-12H2,1H3,(H,16,18).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide?
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63141304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).