N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide

C30H41N7O2 — CID 86766402

IUPACN-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide
SMILESCc1nc(C)n(CCCc2ccc(N3CCC(NC(=O)N4CCN(C(=O)C5=CC=CC5C)CC4)CC3)cc2)n1
InChIInChI=1S/C30H41N7O2/c1-22-6-4-8-28(22)29(38)35-18-20-36(21-19-35)30(39)32-26-13-16-34(17-14-26)27-11-9-25(10-12-27)7-5-15-37-24(3)31-23(2)33-37/h4,6,8-12,22,26H,5,7,13-21H2,1-3H3,(H,32,39)
InChIKeyIGZZVSIUJUMJGN-UHFFFAOYSA-N
MW531.71 g/mol
LogP3.48
Rot. Bonds7

About N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide

N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide (PubChem CID 86766402) has the molecular formula C30H41N7O2 and a molecular weight of 531.71 g/mol. Its IUPAC name is N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide
PubChem CID86766402
Molecular FormulaC30H41N7O2
Molecular Weight531.71 g/mol
Exact Mass531.33
IUPAC NameN-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide
SMILESCc1nc(C)n(CCCc2ccc(N3CCC(NC(=O)N4CCN(C(=O)C5=CC=CC5C)CC4)CC3)cc2)n1
InChIInChI=1S/C30H41N7O2/c1-22-6-4-8-28(22)29(38)35-18-20-36(21-19-35)30(39)32-26-13-16-34(17-14-26)27-11-9-25(10-12-27)7-5-15-37-24(3)31-23(2)33-37/h4,6,8-12,22,26H,5,7,13-21H2,1-3H3,(H,32,39)
InChIKeyIGZZVSIUJUMJGN-UHFFFAOYSA-N
XLogP3.48
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-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-(4-isopropylphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24818921
1-[3-[(1S,5R)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-1-phenyl-3-(p-tolyl)urea
CID 44455069
US9873709, Example 2-327
CID 130315671
N-{4-[1-(2-Oxo-2-piperidin-1-yl-ethyl)-5-phenyl-1H-[1,2,4]triazol-3-yl]-phenyl}-propionamide
CID 648698
3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3175118
3-[(1-cyclopentyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3175119
3-[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]anilino]-1-methylpyrrolidin-2-one
CID 71975552
1-(4-Methylphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)piperidin-2-one
CID 72123177
2-hydroxy-N-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]nicotinamide
CID 91889020
N-[4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]phenyl]acetamide
CID 134793355
2-methyl-N-(4-methylphenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 4896407
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-N-(4-methylphenyl)butanamide
CID 16004457

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide (CID 86766402) is N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide is Cc1nc(C)n(CCCc2ccc(N3CCC(NC(=O)N4CCN(C(=O)C5=CC=CC5C)CC4)CC3)cc2)n1.
What is the InChIKey of N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide?
The InChIKey is IGZZVSIUJUMJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7O2/c1-22-6-4-8-28(22)29(38)35-18-20-36(21-19-35)30(39)32-26-13-16-34(17-14-26)27-11-9-25(10-12-27)7-5-15-37-24(3)31-23(2)33-37/h4,6,8-12,22,26H,5,7,13-21H2,1-3H3,(H,32,39).
What are the key properties of N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide?
N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide has a molecular weight of 531.71 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]phenyl]piperidin-4-yl]-4-(5-methylcyclopenta-1,3-diene-1-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 86766402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).