1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone

C19H24N4O — CID 124941396

IUPAC1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCNc1ncccc1CN1CCN(C(C)=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(24)22-11-12-23(13-17-9-6-10-21-19(17)20-2)18(14-22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyAMWXSZUQZFJCJE-GOSISDBHSA-N
MW324.43 g/mol
LogP2.53
Rot. Bonds4

About 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone

1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone (PubChem CID 124941396) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
PubChem CID124941396
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
SMILESCNc1ncccc1CN1CCN(C(C)=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C19H24N4O/c1-15(24)22-11-12-23(13-17-9-6-10-21-19(17)20-2)18(14-22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyAMWXSZUQZFJCJE-GOSISDBHSA-N
XLogP2.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone
CID 110098224
1-[(3R)-3-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 125008142
1-[(3R)-3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 124974764
1-[3-phenyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 110098235
1-[(3R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 124953208
1-[3-phenyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]ethanone
CID 110109188
(6S)-1-acetyl-N,N-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]-1,4-diazepane-6-carboxamide
CID 125008024
(6R)-1-acetyl-N,N-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]-1,4-diazepane-6-carboxamide
CID 125008025
1-[(3S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpiperazin-1-yl]ethanone
CID 125014450
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055
1-[(3S)-3-(4-methoxyphenyl)-4-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 124960795
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone (CID 124941396) is 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone is CNc1ncccc1CN1CCN(C(C)=O)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
The InChIKey is AMWXSZUQZFJCJE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15(24)22-11-12-23(13-17-9-6-10-21-19(17)20-2)18(14-22)16-7-4-3-5-8-16/h3-10,18H,11-14H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone?
1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone has a molecular weight of 324.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-4-[[2-(methylamino)-3-pyridinyl]methyl]-3-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 124941396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).