1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C25H29N5O2 — CID 24791778

IUPAC1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESC=CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1
InChIInChI=1S/C25H29N5O2/c1-3-13-30-18-21(19(2)28-30)17-29-14-10-20(11-15-29)25(31)27-22-6-8-23(9-7-22)32-24-5-4-12-26-16-24/h3-9,12,16,18,20H,1,10-11,13-15,17H2,2H3,(H,27,31)
InChIKeyQIHPVTLODPWASY-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.42
Rot. Bonds8

About 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24791778) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24791778
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESC=CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1
InChIInChI=1S/C25H29N5O2/c1-3-13-30-18-21(19(2)28-30)17-29-14-10-20(11-15-29)25(31)27-22-6-8-23(9-7-22)32-24-5-4-12-26-16-24/h3-9,12,16,18,20H,1,10-11,13-15,17H2,2H3,(H,27,31)
InChIKeyQIHPVTLODPWASY-UHFFFAOYSA-N
XLogP4.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-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

CID 119058124
CID 119058124
CID 130360508
CID 130360508
CID 24790246
CID 24790246
CID 119058125
CID 119058125
CID 119058126
CID 119058126
CID 127052233
CID 127052233
CID 137640391
CID 137640391
CID 137655735
CID 137655735
CID 86267846
CID 86267846
CID 86268669
CID 86268669
CID 155790580
CID 155790580
CID 155790650
CID 155790650

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24791778) is 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is C=CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1.
What is the InChIKey of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is QIHPVTLODPWASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-13-30-18-21(19(2)28-30)17-29-14-10-20(11-15-29)25(31)27-22-6-8-23(9-7-22)32-24-5-4-12-26-16-24/h3-9,12,16,18,20H,1,10-11,13-15,17H2,2H3,(H,27,31).
What are the key properties of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).