cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone

C17H26N4O — CID 91911877

IUPACcyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C17H26N4O/c22-17(15-4-1-5-15)20-8-2-3-14(11-20)9-16-19-18-12-21(16)10-13-6-7-13/h12-15H,1-11H2
InChIKeyUNJJLCVHDKBERL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds5

About cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone

cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91911877) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID91911877
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Namecyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCC(Cc2nncn2CC2CC2)C1
InChIInChI=1S/C17H26N4O/c22-17(15-4-1-5-15)20-8-2-3-14(11-20)9-16-19-18-12-21(16)10-13-6-7-13/h12-15H,1-11H2
InChIKeyUNJJLCVHDKBERL-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Diethyl-3-{[4-(propan-2-YL)-4H-1,2,4-triazol-3-YL]methyl}piperidine-1-carboxamide
CID 91911869
Cyclopropyl-[4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91919511
Cyclopentyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 110196059
Cyclopentyl-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192598
1-(cyclobutylcarbonyl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72902958
2-Cyclopentyl-1-[2-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 87052136
3-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}propan-1-one
CID 87052156
1-[4-({2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]piperidino}carbonyl)piperidino]-1-ethanone
CID 87052169
2-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}ethan-1-one
CID 87052175
1-Cyclopentanecarbonyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidine
CID 87052182
1-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-3-methyl-1-butanone
CID 91924099
Cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 110196052

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone (CID 91911877) is cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCCC(Cc2nncn2CC2CC2)C1.
What is the InChIKey of cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is UNJJLCVHDKBERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-17(15-4-1-5-15)20-8-2-3-14(11-20)9-16-19-18-12-21(16)10-13-6-7-13/h12-15H,1-11H2.
What are the key properties of cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone?
cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91911877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).