N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C19H22N4O2 — CID 17184526

IUPACN-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-15(24)16-5-7-17(8-6-16)21-19(25)23-12-10-22(11-13-23)14-18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyLUIKCEBRFZQRST-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.63
Rot. Bonds4

About N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 17184526) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID17184526
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-15(24)16-5-7-17(8-6-16)21-19(25)23-12-10-22(11-13-23)14-18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyLUIKCEBRFZQRST-UHFFFAOYSA-N
XLogP2.63
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534
4-(pyridin-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108357
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108333
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210
4-(pyridin-2-ylmethyl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113108369
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 17184526) is N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is LUIKCEBRFZQRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15(24)16-5-7-17(8-6-16)21-19(25)23-12-10-22(11-13-23)14-18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,25).
What are the key properties of N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 17184526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).