(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone

C18H21N3O — CID 119373306

IUPAC(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
SMILESNC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c19-14-10-12-21(13-11-14)18(22)16-8-4-5-9-17(16)20-15-6-2-1-3-7-15/h1-9,14,20H,10-13,19H2
InChIKeyKIWLVBWOUACDOS-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.99
Rot. Bonds3

About (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone

(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone (PubChem CID 119373306) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
PubChem CID119373306
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
SMILESNC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1
InChIInChI=1S/C18H21N3O/c19-14-10-12-21(13-11-14)18(22)16-8-4-5-9-17(16)20-15-6-2-1-3-7-15/h1-9,14,20H,10-13,19H2
InChIKeyKIWLVBWOUACDOS-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
(2-anilinophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644674
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-anilinophenyl)methanone;hydrochloride
CID 120815399
(2-anilinophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635435
ethyl 4-(2-anilinobenzoyl)piperazine-1-carboxylate
CID 25344409
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]ethanesulfonamide;hydrochloride
CID 119376284
(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone (CID 119373306) is (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone is NC1CCN(C(=O)c2ccccc2Nc2ccccc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone?
The InChIKey is KIWLVBWOUACDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-14-10-12-21(13-11-14)18(22)16-8-4-5-9-17(16)20-15-6-2-1-3-7-15/h1-9,14,20H,10-13,19H2.
What are the key properties of (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone?
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone has a molecular weight of 295.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone is sourced from PubChem (CID 119373306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).