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

C24H32N4O — CID 45173718

IUPAC[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C24H32N4O/c1-2-26-15-17-27(18-16-26)23-11-10-22(19-25-23)24(29)28-13-6-9-21(12-14-28)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21H,2,6,9,12-18H2,1H3
InChIKeyFNVRYFVVPLRPDS-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.63
Rot. Bonds4

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

[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (PubChem CID 45173718) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
PubChem CID45173718
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
SMILESCCN1CCN(c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C24H32N4O/c1-2-26-15-17-27(18-16-26)23-11-10-22(19-25-23)24(29)28-13-6-9-21(12-14-28)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21H,2,6,9,12-18H2,1H3
InChIKeyFNVRYFVVPLRPDS-UHFFFAOYSA-N
XLogP3.63
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154697
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
N,N-dimethyl-2-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 95206898
[6-(2-methoxyethylamino)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 28954101
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The IUPAC name of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone (CID 45173718) is [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone.
What is the SMILES notation for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The canonical SMILES for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is CCN1CCN(c2ccc(C(=O)N3CCCC(c4ccccc4)CC3)cn2)CC1.
What is the InChIKey of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
The InChIKey is FNVRYFVVPLRPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-2-26-15-17-27(18-16-26)23-11-10-22(19-25-23)24(29)28-13-6-9-21(12-14-28)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21H,2,6,9,12-18H2,1H3.
What are the key properties of [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone?
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone has a molecular weight of 392.55 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone is sourced from PubChem (CID 45173718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).