N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C23H32N4O4 — CID 55749510

IUPACN-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C23H32N4O4/c1-16(2)9-12-31-20-6-5-17(13-21(20)30-4)23(29)27-10-7-19(8-11-27)25-22(28)18-14-24-26(3)15-18/h5-6,13-16,19H,7-12H2,1-4H3,(H,25,28)
InChIKeyCODGSGOYTJPZJE-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.89
Rot. Bonds8

About N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 55749510) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID55749510
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)ccc1OCCC(C)C
InChIInChI=1S/C23H32N4O4/c1-16(2)9-12-31-20-6-5-17(13-21(20)30-4)23(29)27-10-7-19(8-11-27)25-22(28)18-14-24-26(3)15-18/h5-6,13-16,19H,7-12H2,1-4H3,(H,25,28)
InChIKeyCODGSGOYTJPZJE-UHFFFAOYSA-N
XLogP2.89
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-aminopiperidin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;hydrochloride
CID 119376011
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043589
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749638
azocan-1-yl-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 112793153
3-[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]azetidine-1-carboxamide
CID 146022969
1-[3-methoxy-4-(3-methylbutoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353645
(4-cyclopentylpiperazin-1-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone
CID 55584266
N-(5-chloro-2-pyridinyl)-1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidine-4-carboxamide
CID 55931538
N-[1-[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043575
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155957395

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 55749510) is N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is COc1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)CC2)ccc1OCCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is CODGSGOYTJPZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-16(2)9-12-31-20-6-5-17(13-21(20)30-4)23(29)27-10-7-19(8-11-27)25-22(28)18-14-24-26(3)15-18/h5-6,13-16,19H,7-12H2,1-4H3,(H,25,28).
What are the key properties of N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55749510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).