4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide

C20H33N5O — CID 122563164

IUPAC4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
SMILESCc1nccn1CC1(CNC(=O)N2CCCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-17-21-9-12-25(17)16-20(7-8-20)15-22-19(26)24-11-4-10-23(13-14-24)18-5-2-3-6-18/h9,12,18H,2-8,10-11,13-16H2,1H3,(H,22,26)
InChIKeyNNMOYTUMXOHVFX-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.63
Rot. Bonds5

About 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide

4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide (PubChem CID 122563164) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
PubChem CID122563164
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
SMILESCc1nccn1CC1(CNC(=O)N2CCCN(C3CCCC3)CC2)CC1
InChIInChI=1S/C20H33N5O/c1-17-21-9-12-25(17)16-20(7-8-20)15-22-19(26)24-11-4-10-23(13-14-24)18-5-2-3-6-18/h9,12,18H,2-8,10-11,13-16H2,1H3,(H,22,26)
InChIKeyNNMOYTUMXOHVFX-UHFFFAOYSA-N
XLogP2.63
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122566518
cis-(1S,2R)-2-N-(4-chlorophenyl)-1-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]cyclohexane-1,2-dicarboxamide
CID 131949598
1-(2-amino-2-oxoethyl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]piperidine-3-carboxamide
CID 46989541
4-cyclopentyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide;formic acid
CID 154914956
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]acetamide
CID 74237954
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
3-methyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1-propylpyrazole-4-carboxamide
CID 72885985
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 77092907
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]benzamide
CID 154904996
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide (CID 122563164) is 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide is Cc1nccn1CC1(CNC(=O)N2CCCN(C3CCCC3)CC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is NNMOYTUMXOHVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-17-21-9-12-25(17)16-20(7-8-20)15-22-19(26)24-11-4-10-23(13-14-24)18-5-2-3-6-18/h9,12,18H,2-8,10-11,13-16H2,1H3,(H,22,26).
What are the key properties of 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide?
4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 122563164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).