N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C19H27N5O2 — CID 87052145

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCCn1cnnc1C1CCCCN1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H27N5O2/c1-3-11-23-14-21-22-18(23)17-6-4-5-12-24(17)19(25)20-13-15-7-9-16(26-2)10-8-15/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,20,25)
InChIKeyXXUGTVQOCVLIJU-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.13
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 87052145) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID87052145
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCCCn1cnnc1C1CCCCN1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H27N5O2/c1-3-11-23-14-21-22-18(23)17-6-4-5-12-24(17)19(25)20-13-15-7-9-16(26-2)10-8-15/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,20,25)
InChIKeyXXUGTVQOCVLIJU-UHFFFAOYSA-N
XLogP3.13
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 87052104
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
4-phenyl-1-[(2S)-2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 99768083
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94120134
(2R)-N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94051830
N-(cyclopropylmethyl)-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 75415422
5-(4-methoxyphenyl)-1-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]pentan-1-one
CID 97252776
2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 91920684
(2R)-N-[(3-methyl-4-methylsulfanylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252865

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 87052145) is N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CCCn1cnnc1C1CCCCN1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is XXUGTVQOCVLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-11-23-14-21-22-18(23)17-6-4-5-12-24(17)19(25)20-13-15-7-9-16(26-2)10-8-15/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,20,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-propyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 87052145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).