1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide

C18H25N3O4 — CID 94676556

IUPAC1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide
SMILESCOc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-12(22)20-16(11-13-4-3-5-15(10-13)25-2)18(24)21-8-6-14(7-9-21)17(19)23/h3-5,10,14,16H,6-9,11H2,1-2H3,(H2,19,23)(H,20,22)/t16-/m0/s1
InChIKeyWOEKLKJWCFNMAQ-INIZCTEOSA-N
MW347.42 g/mol
LogP0.47
Rot. Bonds6

About 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide

1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 94676556) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide
PubChem CID94676556
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide
SMILESCOc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-12(22)20-16(11-13-4-3-5-15(10-13)25-2)18(24)21-8-6-14(7-9-21)17(19)23/h3-5,10,14,16H,6-9,11H2,1-2H3,(H2,19,23)(H,20,22)/t16-/m0/s1
InChIKeyWOEKLKJWCFNMAQ-INIZCTEOSA-N
XLogP0.47
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide (CID 94676556) is 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide is COc1cccc(C[C@H](NC(C)=O)C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is WOEKLKJWCFNMAQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(22)20-16(11-13-4-3-5-15(10-13)25-2)18(24)21-8-6-14(7-9-21)17(19)23/h3-5,10,14,16H,6-9,11H2,1-2H3,(H2,19,23)(H,20,22)/t16-/m0/s1.
What are the key properties of 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide?
1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 94676556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).