1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

C18H23N5O4 — CID 118765591

IUPAC1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3ncn[nH]3)CC2)cc1OC
InChIInChI=1S/C18H23N5O4/c1-26-14-4-3-13(9-15(14)27-2)18(25)23-7-5-12(6-8-23)17(24)19-10-16-20-11-21-22-16/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyZKBSDOBAJQIZBX-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.99
Rot. Bonds6

About 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide

1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 118765591) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID118765591
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)NCc3ncn[nH]3)CC2)cc1OC
InChIInChI=1S/C18H23N5O4/c1-26-14-4-3-13(9-15(14)27-2)18(25)23-7-5-12(6-8-23)17(24)19-10-16-20-11-21-22-16/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyZKBSDOBAJQIZBX-UHFFFAOYSA-N
XLogP0.99
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanecarboxamide
CID 62590368
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 2920925
N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1005497
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide (CID 118765591) is 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)NCc3ncn[nH]3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZKBSDOBAJQIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-26-14-4-3-13(9-15(14)27-2)18(25)23-7-5-12(6-8-23)17(24)19-10-16-20-11-21-22-16/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide?
1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 118765591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).