N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide

C20H26N4O3 — CID 86285783

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCc3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-13-18(14(2)23-22-13)12-21-19(25)15-7-9-24(10-8-15)20(26)16-5-4-6-17(11-16)27-3/h4-6,11,15H,7-10,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyCKPZVHGRVXGBID-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.20
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 86285783) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID86285783
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cccc(C(=O)N2CCC(C(=O)NCc3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C20H26N4O3/c1-13-18(14(2)23-22-13)12-21-19(25)15-7-9-24(10-8-15)20(26)16-5-4-6-17(11-16)27-3/h4-6,11,15H,7-10,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyCKPZVHGRVXGBID-UHFFFAOYSA-N
XLogP2.20
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-(3-methoxybenzoyl)-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 146040643
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446
1-(3-methoxybenzoyl)-N-[3-(triazol-1-yl)propyl]piperidine-4-carboxamide
CID 135109599
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 131894462
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide (CID 86285783) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide is COc1cccc(C(=O)N2CCC(C(=O)NCc3c(C)n[nH]c3C)CC2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is CKPZVHGRVXGBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-18(14(2)23-22-13)12-21-19(25)15-7-9-24(10-8-15)20(26)16-5-4-6-17(11-16)27-3/h4-6,11,15H,7-10,12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 86285783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).