(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid

C19H24N2O4 — CID 120692929

IUPAC(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C19H24N2O4/c1-2-3-9-16(19(24)25)20-17(22)14-10-12-21(13-11-14)18(23)15-7-5-4-6-8-15/h2-8,14,16H,9-13H2,1H3,(H,20,22)(H,24,25)/b3-2+
InChIKeyBURKCIBRNSUWOB-NSCUHMNNSA-N
MW344.41 g/mol
LogP2.07
Rot. Bonds6

About (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid

(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid (PubChem CID 120692929) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid
PubChem CID120692929
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C19H24N2O4/c1-2-3-9-16(19(24)25)20-17(22)14-10-12-21(13-11-14)18(23)15-7-5-4-6-8-15/h2-8,14,16H,9-13H2,1H3,(H,20,22)(H,24,25)/b3-2+
InChIKeyBURKCIBRNSUWOB-NSCUHMNNSA-N
XLogP2.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(1-benzoylpiperidine-4-carbonyl)amino]-3-phenylpropanoic acid
CID 119367535
(E)-2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693343
(E)-2-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]hex-4-enoic acid
CID 120693182
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
(E)-2-[(1-benzylpyrrolidine-2-carbonyl)amino]hex-4-enoic acid
CID 120694302
(2S)-2-[[1-(4-methylbenzoyl)piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 131922805
(E)-2-(2,3-dihydro-1H-indene-1-carbonylamino)hex-4-enoic acid
CID 120692514
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
1-(4-benzamidobenzoyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 46384509
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid (CID 120692929) is (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)C1CCN(C(=O)c2ccccc2)CC1)C(=O)O.
What is the InChIKey of (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid?
The InChIKey is BURKCIBRNSUWOB-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-2-3-9-16(19(24)25)20-17(22)14-10-12-21(13-11-14)18(23)15-7-5-4-6-8-15/h2-8,14,16H,9-13H2,1H3,(H,20,22)(H,24,25)/b3-2+.
What are the key properties of (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid?
(E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(1-benzoylpiperidine-4-carbonyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120692929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).