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'}

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Related Compounds

1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CID 119058124
Cyp4A11/cyp4F2-IN-2
CID 130360508
1-(4-methoxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24790246
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
4-[1-(2-Fluorophenyl)-1h-Pyrazol-4-Yl]-3-[(Piperidin-4-Yl)methoxy]pyridine
CID 119058126
4-[3-Fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
CID 127052233
N-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 137640391
N-[3-[(Z)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 137655735
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclohexanecarboxamide
CID 86267846
2-cyclohexyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
CID 86268669
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790580
cyclopropyl-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
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).