(1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H27N7O — CID 72851669

IUPAC(1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C18H27N7O/c1-3-25-15(12-24-11-8-20-13(24)2)21-22-16(25)14-4-9-23(10-5-14)17(26)18(19)6-7-18/h8,11,14H,3-7,9-10,12,19H2,1-2H3
InChIKeyWCSUIAAGHOLPBC-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.05
Rot. Bonds5

About (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 72851669) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID72851669
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name(1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)C2(N)CC2)CC1
InChIInChI=1S/C18H27N7O/c1-3-25-15(12-24-11-8-20-13(24)2)21-22-16(25)14-4-9-23(10-5-14)17(26)18(19)6-7-18/h8,11,14H,3-7,9-10,12,19H2,1-2H3
InChIKeyWCSUIAAGHOLPBC-UHFFFAOYSA-N
XLogP1.05
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-Cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
CID 72918546
N-(2-imidazol-1-ylethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 53505813
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
CID 72149987
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496
4-[4-cyclopropyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(2,2-dimethylpropyl)piperidine
CID 72912276
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72922086
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 86769639
N,N-dimethyl-3-(2-{1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72888327
[3-(4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-piperidinyl)-3-oxopropyl]amine dihydrochloride
CID 72893405

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 72851669) is (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is CCn1c(Cn2ccnc2C)nnc1C1CCN(C(=O)C2(N)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is WCSUIAAGHOLPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-3-25-15(12-24-11-8-20-13(24)2)21-22-16(25)14-4-9-23(10-5-14)17(26)18(19)6-7-18/h8,11,14H,3-7,9-10,12,19H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 357.46 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72851669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).