N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

C18H23N5O — CID 99623368

IUPACN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1Cc2ccccc21)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C18H23N5O/c24-18(19-12-16-11-15-3-1-2-4-17(15)16)22-8-5-14(6-9-22)13-23-10-7-20-21-23/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,19,24)/t16-/m0/s1
InChIKeyBJVYEPUJFAZYAH-INIZCTEOSA-N
MW325.42 g/mol
LogP2.04
Rot. Bonds4

About N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide

N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 99623368) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID99623368
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NC[C@@H]1Cc2ccccc21)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C18H23N5O/c24-18(19-12-16-11-15-3-1-2-4-17(15)16)22-8-5-14(6-9-22)13-23-10-7-20-21-23/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,19,24)/t16-/m0/s1
InChIKeyBJVYEPUJFAZYAH-INIZCTEOSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide 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-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 146143132
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-1-carboxamide
CID 113225865
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802772
N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 75388055
5-phenyl-4-[[4-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 122028268
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 124569727
N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 126773265
2,2-dimethyl-5-phenyl-1-[4-(triazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 126782225
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
N-(3,4-dihydro-1H-isochromen-4-ylmethyl)-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 166285082
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351555

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide (CID 99623368) is N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is O=C(NC[C@@H]1Cc2ccccc21)N1CCC(Cn2ccnn2)CC1.
What is the InChIKey of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is BJVYEPUJFAZYAH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(19-12-16-11-15-3-1-2-4-17(15)16)22-8-5-14(6-9-22)13-23-10-7-20-21-23/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,19,24)/t16-/m0/s1.
What are the key properties of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide?
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99623368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).