(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone

C18H20N2O2 — CID 119377677

IUPAC(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
SMILESNC1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O2/c19-15-5-4-12-20(13-15)18(21)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-13,19H2
InChIKeyOAPKONPFYZQULS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.04
Rot. Bonds3

About (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone

(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone (PubChem CID 119377677) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
PubChem CID119377677
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
SMILESNC1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C18H20N2O2/c19-15-5-4-12-20(13-15)18(21)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-13,19H2
InChIKeyOAPKONPFYZQULS-UHFFFAOYSA-N
XLogP3.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-[4-(3-bromophenoxy)phenyl]methanone
CID 119381238
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
(3-aminopiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119380259
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
(4-phenoxyphenyl)-[3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 166270023
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
CID 119380613
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone (CID 119377677) is (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone is NC1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is OAPKONPFYZQULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-15-5-4-12-20(13-15)18(21)14-8-10-17(11-9-14)22-16-6-2-1-3-7-16/h1-3,6-11,15H,4-5,12-13,19H2.
What are the key properties of (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone?
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 119377677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).