N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide

C19H27N3O2 — CID 38217781

IUPACN-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(=O)N2CCCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-15-6-4-7-16(14-15)18(23)21-10-5-11-22(13-12-21)19(24)20-17-8-2-3-9-17/h4,6-7,14,17H,2-3,5,8-13H2,1H3,(H,20,24)
InChIKeyDDNCNKKQXIBDCK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.80
Rot. Bonds2

About N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide (PubChem CID 38217781) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
PubChem CID38217781
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCc1cccc(C(=O)N2CCCN(C(=O)NC3CCCC3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-15-6-4-7-16(14-15)18(23)21-10-5-11-22(13-12-21)19(24)20-17-8-2-3-9-17/h4,6-7,14,17H,2-3,5,8-13H2,1H3,(H,20,24)
InChIKeyDDNCNKKQXIBDCK-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-acetamidobenzoyl)-N-cyclopentylpiperazine-1-carboxamide
CID 110812202
N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37105606
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
N-cyclopentyl-4-(3-methylbenzoyl)piperazine-1-sulfonamide
CID 110632659
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
N-[3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 42949468
(3-bromophenyl)-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 38462694
2-cyclopentyl-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110354943

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide (CID 38217781) is N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide is Cc1cccc(C(=O)N2CCCN(C(=O)NC3CCCC3)CC2)c1.
What is the InChIKey of N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is DDNCNKKQXIBDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-6-4-7-16(14-15)18(23)21-10-5-11-22(13-12-21)19(24)20-17-8-2-3-9-17/h4,6-7,14,17H,2-3,5,8-13H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 38217781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).