N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C19H23ClN4O2 — CID 113108542

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14-10-17(18(26-2)11-16(14)20)22-19(25)24-8-6-23(7-9-24)13-15-4-3-5-21-12-15/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25)
InChIKeyVSXNHZYYHDIMBQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.40
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108542) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID113108542
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-14-10-17(18(26-2)11-16(14)20)22-19(25)24-8-6-23(7-9-24)13-15-4-3-5-21-12-15/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25)
InChIKeyVSXNHZYYHDIMBQ-UHFFFAOYSA-N
XLogP3.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-(2-methoxy-4-nitrophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149211
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113120522
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942346

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 113108542) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is VSXNHZYYHDIMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14-10-17(18(26-2)11-16(14)20)22-19(25)24-8-6-23(7-9-24)13-15-4-3-5-21-12-15/h3-5,10-12H,6-9,13H2,1-2H3,(H,22,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).