N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C19H24N4O2 — CID 38197349

IUPACN-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)14-21-19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyAPBDFXVGMPUIRH-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.12
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 38197349) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID38197349
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)14-21-19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyAPBDFXVGMPUIRH-UHFFFAOYSA-N
XLogP2.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
4-(3,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108119
N-[(2-methoxyphenyl)methyl]-3-pyridin-4-ylpropanamide
CID 110468458
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 38197349) is N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is COc1ccccc1CNC(=O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is APBDFXVGMPUIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)14-21-19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 38197349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).