1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone

C20H29N3O2 — CID 54841440

IUPAC1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
SMILESO=C(CNc1ccc(C(=O)N2CCCCC2)cc1)N1CCCCCC1
InChIInChI=1S/C20H29N3O2/c24-19(22-12-4-1-2-5-13-22)16-21-18-10-8-17(9-11-18)20(25)23-14-6-3-7-15-23/h8-11,21H,1-7,12-16H2
InChIKeyACLODKIXNIVDGC-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.13
Rot. Bonds4

About 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone

1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone (PubChem CID 54841440) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
PubChem CID54841440
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
SMILESO=C(CNc1ccc(C(=O)N2CCCCC2)cc1)N1CCCCCC1
InChIInChI=1S/C20H29N3O2/c24-19(22-12-4-1-2-5-13-22)16-21-18-10-8-17(9-11-18)20(25)23-14-6-3-7-15-23/h8-11,21H,1-7,12-16H2
InChIKeyACLODKIXNIVDGC-UHFFFAOYSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
2-[4-(azepane-1-carbonyl)anilino]-N,N-diethylacetamide
CID 54835140
2-(4-ethylanilino)-1-piperidin-1-ylethanone
CID 28583235
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
2-[4-(azepane-1-carbonyl)anilino]-N-(4-bromophenyl)acetamide
CID 54834872
N-(4-fluorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841618
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
2-(3,4-diaminoanilino)-1-piperidin-1-ylethanone
CID 106751115
N-(3,5-dimethylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841740
propyl 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]benzoate
CID 54812870
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone (CID 54841440) is 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone is O=C(CNc1ccc(C(=O)N2CCCCC2)cc1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone?
The InChIKey is ACLODKIXNIVDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(22-12-4-1-2-5-13-22)16-21-18-10-8-17(9-11-18)20(25)23-14-6-3-7-15-23/h8-11,21H,1-7,12-16H2.
What are the key properties of 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone?
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone has a molecular weight of 343.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone is sourced from PubChem (CID 54841440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).