N-[(1R)-1-phenylethyl]azepane-2-carboxamide

C15H22N2O — CID 78996687

IUPACN-[(1R)-1-phenylethyl]azepane-2-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCCN1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)17-15(18)14-10-6-3-7-11-16-14/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3,(H,17,18)/t12-,14?/m1/s1
InChIKeyFNYNFPDXAYEPLB-PUODRLBUSA-N
MW246.35 g/mol
LogP2.40
Rot. Bonds3

About N-[(1R)-1-phenylethyl]azepane-2-carboxamide

N-[(1R)-1-phenylethyl]azepane-2-carboxamide (PubChem CID 78996687) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]azepane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]azepane-2-carboxamide
PubChem CID78996687
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1R)-1-phenylethyl]azepane-2-carboxamide
SMILESC[C@@H](NC(=O)C1CCCCCN1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)17-15(18)14-10-6-3-7-11-16-14/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3,(H,17,18)/t12-,14?/m1/s1
InChIKeyFNYNFPDXAYEPLB-PUODRLBUSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]azepane-2-carboxamide?
The IUPAC name of N-[(1R)-1-phenylethyl]azepane-2-carboxamide (CID 78996687) is N-[(1R)-1-phenylethyl]azepane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]azepane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]azepane-2-carboxamide is C[C@@H](NC(=O)C1CCCCCN1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]azepane-2-carboxamide?
The InChIKey is FNYNFPDXAYEPLB-PUODRLBUSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)17-15(18)14-10-6-3-7-11-16-14/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3,(H,17,18)/t12-,14?/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]azepane-2-carboxamide?
N-[(1R)-1-phenylethyl]azepane-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]azepane-2-carboxamide is sourced from PubChem (CID 78996687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).