N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

C21H28N4O — CID 55462200

IUPACN-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCC(C)N(C(=O)CN1CCN(Cc2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-18(2)25(20-9-4-3-5-10-20)21(26)17-24-14-12-23(13-15-24)16-19-8-6-7-11-22-19/h3-11,18H,12-17H2,1-2H3
InChIKeyVKLDVOAUCNTBCA-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.64
Rot. Bonds6

About N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide

N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 55462200) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
PubChem CID55462200
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
SMILESCC(C)N(C(=O)CN1CCN(Cc2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-18(2)25(20-9-4-3-5-10-20)21(26)17-24-14-12-23(13-15-24)16-19-8-6-7-11-22-19/h3-11,18H,12-17H2,1-2H3
InChIKeyVKLDVOAUCNTBCA-UHFFFAOYSA-N
XLogP2.64
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134055413
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-phenyl-2-(4-propanoyl-1,4-diazepan-1-yl)-N-propan-2-ylacetamide
CID 87021791
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134055397
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
5-amino-4-methyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 82013925
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 34010666
3,3-diphenyl-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 14960357

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide (CID 55462200) is N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is CC(C)N(C(=O)CN1CCN(Cc2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is VKLDVOAUCNTBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-18(2)25(20-9-4-3-5-10-20)21(26)17-24-14-12-23(13-15-24)16-19-8-6-7-11-22-19/h3-11,18H,12-17H2,1-2H3.
What are the key properties of N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide?
N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-propan-2-yl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55462200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).