N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide

C17H26N4O2 — CID 110813914

IUPACN-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc[nH]1)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(13-15-7-3-8-18-15)20-9-4-10-21(12-11-20)17(23)19-14-5-1-2-6-14/h3,7-8,14,18H,1-2,4-6,9-13H2,(H,19,23)
InChIKeyMZROIJBPNHVRCI-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.74
Rot. Bonds3

About N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide (PubChem CID 110813914) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
PubChem CID110813914
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
SMILESO=C(Cc1ccc[nH]1)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C17H26N4O2/c22-16(13-15-7-3-8-18-15)20-9-4-10-21(12-11-20)17(23)19-14-5-1-2-6-14/h3,7-8,14,18H,1-2,4-6,9-13H2,(H,19,23)
InChIKeyMZROIJBPNHVRCI-UHFFFAOYSA-N
XLogP1.74
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110808372
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110801256
3-phenyl-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110808352
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840
1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115277206
N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813845
1-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110816873
N-cyclohexyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813819

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide (CID 110813914) is N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide is O=C(Cc1ccc[nH]1)N1CCCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide?
The InChIKey is MZROIJBPNHVRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16(13-15-7-3-8-18-15)20-9-4-10-21(12-11-20)17(23)19-14-5-1-2-6-14/h3,7-8,14,18H,1-2,4-6,9-13H2,(H,19,23).
What are the key properties of N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).