4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

C19H26N4O4 — CID 90495359

IUPAC4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Cn3cccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-25-16-11-15(12-17(26-2)18(16)27-3)21-19(24)22-9-5-14(6-10-22)13-23-8-4-7-20-23/h4,7-8,11-12,14H,5-6,9-10,13H2,1-3H3,(H,21,24)
InChIKeyPRYJDLPXZRBUAU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.85
Rot. Bonds6

About 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 90495359) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID90495359
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Cn3cccn3)CC2)cc(OC)c1OC
InChIInChI=1S/C19H26N4O4/c1-25-16-11-15(12-17(26-2)18(16)27-3)21-19(24)22-9-5-14(6-10-22)13-23-8-4-7-20-23/h4,7-8,11-12,14H,5-6,9-10,13H2,1-3H3,(H,21,24)
InChIKeyPRYJDLPXZRBUAU-UHFFFAOYSA-N
XLogP2.85
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495360
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057634
4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53198889
4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 46089269
2-(3,4-dimethoxyphenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906661
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057643
4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 71799611
(2S)-2-(2,3-dimethoxyphenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetic acid
CID 97187301
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 90495359) is 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(Cn3cccn3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is PRYJDLPXZRBUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-25-16-11-15(12-17(26-2)18(16)27-3)21-19(24)22-9-5-14(6-10-22)13-23-8-4-7-20-23/h4,7-8,11-12,14H,5-6,9-10,13H2,1-3H3,(H,21,24).
What are the key properties of 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 90495359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).