(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

C22H27NOS — CID 121130907

IUPAC(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCCCC(c2ccccc2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H27NOS/c24-21(22(13-5-6-14-22)20-12-8-16-25-20)23-15-7-4-11-19(17-23)18-9-2-1-3-10-18/h1-3,8-10,12,16,19H,4-7,11,13-15,17H2
InChIKeyCBCNOOWZHTZTQC-UHFFFAOYSA-N
MW353.53 g/mol
LogP5.36
Rot. Bonds3

About (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 121130907) has the molecular formula C22H27NOS and a molecular weight of 353.53 g/mol. Its IUPAC name is (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID121130907
Molecular FormulaC22H27NOS
Molecular Weight353.53 g/mol
Exact Mass353.18
IUPAC Name(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCCCC(c2ccccc2)C1)C1(c2cccs2)CCCC1
InChIInChI=1S/C22H27NOS/c24-21(22(13-5-6-14-22)20-12-8-16-25-20)23-15-7-4-11-19(17-23)18-9-2-1-3-10-18/h1-3,8-10,12,16,19H,4-7,11,13-15,17H2
InChIKeyCBCNOOWZHTZTQC-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 97354893
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
CID 51894500
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
(4-cyclopropyl-2-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 90566854
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 100719123
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549

Frequently Asked Questions

What is the IUPAC name of (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (CID 121130907) is (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCCCC(c2ccccc2)C1)C1(c2cccs2)CCCC1.
What is the InChIKey of (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is CBCNOOWZHTZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NOS/c24-21(22(13-5-6-14-22)20-12-8-16-25-20)23-15-7-4-11-19(17-23)18-9-2-1-3-10-18/h1-3,8-10,12,16,19H,4-7,11,13-15,17H2.
What are the key properties of (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 353.53 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 121130907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).