N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C18H21ClN4O2 — CID 113108333

IUPACN-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-25-17-6-5-14(12-16(17)19)21-18(24)23-10-8-22(9-11-23)13-15-4-2-3-7-20-15/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyAVVWELQZMFGWNS-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.09
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108333) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113108333
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-25-17-6-5-14(12-16(17)19)21-18(24)23-10-8-22(9-11-23)13-15-4-2-3-7-20-15/h2-7,12H,8-11,13H2,1H3,(H,21,24)
InChIKeyAVVWELQZMFGWNS-UHFFFAOYSA-N
XLogP3.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470928
N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60600985
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 113108333) is N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is AVVWELQZMFGWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-17-6-5-14(12-16(17)19)21-18(24)23-10-8-22(9-11-23)13-15-4-2-3-7-20-15/h2-7,12H,8-11,13H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).