[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone

C23H30N4O — CID 56753630

IUPAC[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESNC1CCN(c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C23H30N4O/c24-21-11-15-26(16-12-21)22-9-8-20(17-25-22)23(28)27-13-4-7-19(10-14-27)18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19,21H,4,7,10-16,24H2
InChIKeyWFYPRHLBYXEWCC-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.42
Rot. Bonds3

About [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone

[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (PubChem CID 56753630) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
PubChem CID56753630
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESNC1CCN(c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C23H30N4O/c24-21-11-15-26(16-12-21)22-9-8-20(17-25-22)23(28)27-13-4-7-19(10-14-27)18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19,21H,4,7,10-16,24H2
InChIKeyWFYPRHLBYXEWCC-UHFFFAOYSA-N
XLogP3.42
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone with MolForge

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Related Compounds

[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28732391

Frequently Asked Questions

What is the IUPAC name of [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The IUPAC name of [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (CID 56753630) is [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is NC1CCN(c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)CC1.
What is the InChIKey of [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The InChIKey is WFYPRHLBYXEWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c24-21-11-15-26(16-12-21)22-9-8-20(17-25-22)23(28)27-13-4-7-19(10-14-27)18-5-2-1-3-6-18/h1-3,5-6,8-9,17,19,21H,4,7,10-16,24H2.
What are the key properties of [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone has a molecular weight of 378.52 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 56753630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).