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

C19H24N4O2 — CID 113108170

IUPACN-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-18-7-5-16(6-8-18)14-21-19(24)23-12-10-22(11-13-23)15-17-4-2-3-9-20-17/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyVWXQHQQTHOGBBV-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.12
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108170) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113108170
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-25-18-7-5-16(6-8-18)14-21-19(24)23-12-10-22(11-13-23)15-17-4-2-3-9-20-17/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyVWXQHQQTHOGBBV-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-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 75523527
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
4-[4-(4-acetylphenyl)phenyl]-N-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 101408949
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 113108170) is N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is VWXQHQQTHOGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-7-5-16(6-8-18)14-21-19(24)23-12-10-22(11-13-23)15-17-4-2-3-9-20-17/h2-9H,10-15H2,1H3,(H,21,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-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-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).