1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone

C18H22N4O — CID 124503003

IUPAC1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1
InChIInChI=1S/C18H22N4O/c1-14(23)21-9-11-22(12-10-21)17-8-7-16(13-20-17)18(19)15-5-3-2-4-6-15/h2-8,13,18H,9-12,19H2,1H3/t18-/m1/s1
InChIKeyIJFJCGFOWSUJGT-GOSISDBHSA-N
MW310.40 g/mol
LogP1.80
Rot. Bonds3

About 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 124503003) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID124503003
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1
InChIInChI=1S/C18H22N4O/c1-14(23)21-9-11-22(12-10-21)17-8-7-16(13-20-17)18(19)15-5-3-2-4-6-15/h2-8,13,18H,9-12,19H2,1H3/t18-/m1/s1
InChIKeyIJFJCGFOWSUJGT-GOSISDBHSA-N
XLogP1.80
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
5-(4-acetylpiperazin-1-yl)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109279167
6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 71094905
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone (CID 124503003) is 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1.
What is the InChIKey of 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is IJFJCGFOWSUJGT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14(23)21-9-11-22(12-10-21)17-8-7-16(13-20-17)18(19)15-5-3-2-4-6-15/h2-8,13,18H,9-12,19H2,1H3/t18-/m1/s1.
What are the key properties of 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 310.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124503003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).