4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide

C17H30N4O2 — CID 99635622

IUPAC4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide
SMILESCN(C)[C@@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H30N4O2/c1-19(2)15-7-6-14(12-15)18-17(23)21-9-3-8-20(10-11-21)16(22)13-4-5-13/h13-15H,3-12H2,1-2H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyLNBNGVXITZDXHJ-HUUCEWRRSA-N
MW322.45 g/mol
LogP1.12
Rot. Bonds3

About 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide (PubChem CID 99635622) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide
PubChem CID99635622
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide
SMILESCN(C)[C@@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H30N4O2/c1-19(2)15-7-6-14(12-15)18-17(23)21-9-3-8-20(10-11-21)16(22)13-4-5-13/h13-15H,3-12H2,1-2H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyLNBNGVXITZDXHJ-HUUCEWRRSA-N
XLogP1.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonyl)-N-(3,4-dimethylcyclohexyl)-1,4-diazepane-1-carboxamide
CID 86803052
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
1-[[(1S,3R)-3-(piperidine-1-carbonyl)cyclopentyl]carbamoyl]piperidine-3-carboxylic acid
CID 122013071
N-[(1R,3R)-3-(dimethylamino)cyclopentyl]acetamide
CID 131085914
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
(2R)-N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-2-ethyl-2-methylmorpholine-4-carboxamide
CID 100658333

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide (CID 99635622) is 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide is CN(C)[C@@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide?
The InChIKey is LNBNGVXITZDXHJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-19(2)15-7-6-14(12-15)18-17(23)21-9-3-8-20(10-11-21)16(22)13-4-5-13/h13-15H,3-12H2,1-2H3,(H,18,23)/t14-,15-/m1/s1.
What are the key properties of 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[(1R,3R)-3-(dimethylamino)cyclopentyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 99635622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).