[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone

C18H30N4O — CID 119050387

IUPAC[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)CC(C)C2)nnn1CC1CCCC1
InChIInChI=1S/C18H30N4O/c1-13-8-9-21(11-14(2)10-13)18(23)17-15(3)22(20-19-17)12-16-6-4-5-7-16/h13-14,16H,4-12H2,1-3H3
InChIKeyUNKZZTXRQVDCNP-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.28
Rot. Bonds3

About [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone

[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone (PubChem CID 119050387) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone
PubChem CID119050387
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)CC(C)C2)nnn1CC1CCCC1
InChIInChI=1S/C18H30N4O/c1-13-8-9-21(11-14(2)10-13)18(23)17-15(3)22(20-19-17)12-16-6-4-5-7-16/h13-14,16H,4-12H2,1-3H3
InChIKeyUNKZZTXRQVDCNP-UHFFFAOYSA-N
XLogP3.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[3-(1,1-difluoro-2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 166315554
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 139013123
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-[(2R,4S)-2-(2-hydroxyethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 166324269
ethyl 5-(aminomethyl)-1-(cyclobutylmethyl)triazole-4-carboxylate
CID 103111414
prop-2-enyl 1-(cyclopropylmethyl)-5-methyltriazole-4-carboxylate
CID 103114103
1-[1-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117353
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
[3-(azepan-1-ylmethyl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119875709
ethyl 5-amino-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylate
CID 82202749
(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
(1-benzyl-5-chlorotriazol-4-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 97458753
1-(cyclopentylmethyl)-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645888

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone?
The IUPAC name of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone (CID 119050387) is [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone.
What is the SMILES notation for [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone?
The canonical SMILES for [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone is Cc1c(C(=O)N2CCC(C)CC(C)C2)nnn1CC1CCCC1.
What is the InChIKey of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone?
The InChIKey is UNKZZTXRQVDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13-8-9-21(11-14(2)10-13)18(23)17-15(3)22(20-19-17)12-16-6-4-5-7-16/h13-14,16H,4-12H2,1-3H3.
What are the key properties of [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone?
[1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone has a molecular weight of 318.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylmethyl)-5-methyltriazol-4-yl]-(3,5-dimethylazepan-1-yl)methanone is sourced from PubChem (CID 119050387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).