2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone

C23H32N2O4 — CID 137344339

IUPAC2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCCN(C(=O)CC3CCCC3)CC1)C2
InChIInChI=1S/C23H32N2O4/c1-28-20-9-4-8-18-15-19(16-29-22(18)20)23(27)25-11-5-10-24(12-13-25)21(26)14-17-6-2-3-7-17/h4,8-9,17,19H,2-3,5-7,10-16H2,1H3
InChIKeyNMJXYCKREYOUKA-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.89
Rot. Bonds4

About 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone

2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 137344339) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
PubChem CID137344339
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCCN(C(=O)CC3CCCC3)CC1)C2
InChIInChI=1S/C23H32N2O4/c1-28-20-9-4-8-18-15-19(16-29-22(18)20)23(27)25-11-5-10-24(12-13-25)21(26)14-17-6-2-3-7-17/h4,8-9,17,19H,2-3,5-7,10-16H2,1H3
InChIKeyNMJXYCKREYOUKA-UHFFFAOYSA-N
XLogP2.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methanone
CID 126806775
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 70718890
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 72871709
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 74243509
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 72854779
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95283159
9-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 95193293
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
CID 95309511
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
4-[(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 96573246
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
8-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 169417243

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone (CID 137344339) is 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone is COc1cccc2c1OCC(C(=O)N1CCCN(C(=O)CC3CCCC3)CC1)C2.
What is the InChIKey of 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is NMJXYCKREYOUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-28-20-9-4-8-18-15-19(16-29-22(18)20)23(27)25-11-5-10-24(12-13-25)21(26)14-17-6-2-3-7-17/h4,8-9,17,19H,2-3,5-7,10-16H2,1H3.
What are the key properties of 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 400.52 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(8-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 137344339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).