(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide

C17H24N3O3+ — CID 8904387

IUPAC(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-12(19-7-9-20(10-8-19)14(3)22)17(23)18-16-6-4-5-15(11-16)13(2)21/h4-6,11-12H,7-10H2,1-3H3,(H,18,23)/p+1/t12-/m0/s1
InChIKeyOGUKGRRVCKBYLT-LBPRGKRZSA-O
MW318.40 g/mol
LogP-0.04
Rot. Bonds4

About (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide

(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide (PubChem CID 8904387) has the molecular formula C17H24N3O3+ and a molecular weight of 318.40 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
PubChem CID8904387
Molecular FormulaC17H24N3O3+
Molecular Weight318.40 g/mol
Exact Mass318.18
IUPAC Name(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-12(19-7-9-20(10-8-19)14(3)22)17(23)18-16-6-4-5-15(11-16)13(2)21/h4-6,11-12H,7-10H2,1-3H3,(H,18,23)/p+1/t12-/m0/s1
InChIKeyOGUKGRRVCKBYLT-LBPRGKRZSA-O
XLogP-0.04
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-N-(3-acetylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
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(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 9276460
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 8903613
(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258737
(2R)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9130126
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
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[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 7583965
(2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 9390981
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
(2R)-N-(4-acetylphenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide (CID 8904387) is (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCN(C(C)=O)CC2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide?
The InChIKey is OGUKGRRVCKBYLT-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H23N3O3/c1-12(19-7-9-20(10-8-19)14(3)22)17(23)18-16-6-4-5-15(11-16)13(2)21/h4-6,11-12H,7-10H2,1-3H3,(H,18,23)/p+1/t12-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide?
(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide has a molecular weight of 318.40 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 8904387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).