(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone

C16H22N2O — CID 119770810

IUPAC(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
SMILESNC1(C(=O)N2CCCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H22N2O/c17-16(9-10-16)15(19)18-11-4-7-14(8-12-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2
InChIKeyNNBIIYCWCDSRAX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.27
Rot. Bonds2

About (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone

(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone (PubChem CID 119770810) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
PubChem CID119770810
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
SMILESNC1(C(=O)N2CCCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H22N2O/c17-16(9-10-16)15(19)18-11-4-7-14(8-12-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2
InChIKeyNNBIIYCWCDSRAX-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone (CID 119770810) is (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone is NC1(C(=O)N2CCCC(c3ccccc3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone?
The InChIKey is NNBIIYCWCDSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-16(9-10-16)15(19)18-11-4-7-14(8-12-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,17H2.
What are the key properties of (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone?
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 119770810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).