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

C18H21ClN4O2 — CID 113108509

IUPACN-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-25-17-5-4-15(11-16(17)19)21-18(24)23-9-7-22(8-10-23)13-14-3-2-6-20-12-14/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)
InChIKeyMJOQFJVRQORHNF-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.09
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108509) 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-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID113108509
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O2/c1-25-17-5-4-15(11-16(17)19)21-18(24)23-9-7-22(8-10-23)13-14-3-2-6-20-12-14/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)
InChIKeyMJOQFJVRQORHNF-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-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108542
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 6467974
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(2-methoxy-4-nitrophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149211

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 113108509) is N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3cccnc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is MJOQFJVRQORHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-17-5-4-15(11-16(17)19)21-18(24)23-9-7-22(8-10-23)13-14-3-2-6-20-12-14/h2-6,11-12H,7-10,13H2,1H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-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-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).