(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone

C17H19N3O — CID 116561844

IUPAC(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
SMILESNc1ccncc1C(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H19N3O/c18-15-6-9-20-12-14(15)16(21)17(7-10-19-11-8-17)13-4-2-1-3-5-13/h1-6,9,12,19H,7-8,10-11H2,(H2,18,20)
InChIKeyKEHGHQCPOFWERB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.17
Rot. Bonds3

About (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone

(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone (PubChem CID 116561844) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
PubChem CID116561844
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
SMILESNc1ccncc1C(=O)C1(c2ccccc2)CCNCC1
InChIInChI=1S/C17H19N3O/c18-15-6-9-20-12-14(15)16(21)17(7-10-19-11-8-17)13-4-2-1-3-5-13/h1-6,9,12,19H,7-8,10-11H2,(H2,18,20)
InChIKeyKEHGHQCPOFWERB-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561879
(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626591
(4-amino-3-pyridinyl)-(3-methylpiperidin-3-yl)methanone
CID 116569322
(4-amino-3-pyridinyl)-(1-hydroxycyclopentyl)methanone
CID 103447715
4-(3-aminophenyl)piperidine-4-carboxylic acid
CID 103194003
(4-amino-3-pyridinyl)-piperidin-4-ylmethanone
CID 116547555
(4-methylphenyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561849
(4-amino-3-pyridinyl)-[1-(dimethylamino)cyclopentyl]methanone
CID 79068248
N-(5-bromopyrimidin-2-yl)-4-phenylpiperidine-4-carboxamide
CID 66981335
(4-phenylpiperidin-4-yl) 2-aminobenzoate
CID 167315238
1-azabicyclo[2.2.2]octane;4-phenylpiperidine-4-carboxylic acid
CID 145196382
4-methyl-1-(4-phenylpiperidin-4-yl)pentan-1-one
CID 116561839

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
The IUPAC name of (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone (CID 116561844) is (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
The canonical SMILES for (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone is Nc1ccncc1C(=O)C1(c2ccccc2)CCNCC1.
What is the InChIKey of (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
The InChIKey is KEHGHQCPOFWERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-15-6-9-20-12-14(15)16(21)17(7-10-19-11-8-17)13-4-2-1-3-5-13/h1-6,9,12,19H,7-8,10-11H2,(H2,18,20).
What are the key properties of (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone?
(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 116561844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).