1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

C23H33N3O2 — CID 45242607

IUPAC1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESC=CCC(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C23H33N3O2/c1-2-7-22(27)25-16-12-21(13-17-25)26-15-6-10-20(18-26)23(28)24-14-11-19-8-4-3-5-9-19/h2-5,8-9,20-21H,1,6-7,10-18H2,(H,24,28)
InChIKeyBQANUCQGMNFBNH-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.62
Rot. Bonds7

About 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide

1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 45242607) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID45242607
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESC=CCC(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1
InChIInChI=1S/C23H33N3O2/c1-2-7-22(27)25-16-12-21(13-17-25)26-15-6-10-20(18-26)23(28)24-14-11-19-8-4-3-5-9-19/h2-5,8-9,20-21H,1,6-7,10-18H2,(H,24,28)
InChIKeyBQANUCQGMNFBNH-UHFFFAOYSA-N
XLogP2.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
(3S)-1-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96576719
(3S)-1-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 42394363
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45195553
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95554118
(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571690
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
(3S)-N-(2-phenylethyl)-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571753
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95561373

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 45242607) is 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is C=CCC(=O)N1CCC(N2CCCC(C(=O)NCCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is BQANUCQGMNFBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-2-7-22(27)25-16-12-21(13-17-25)26-15-6-10-20(18-26)23(28)24-14-11-19-8-4-3-5-9-19/h2-5,8-9,20-21H,1,6-7,10-18H2,(H,24,28).
What are the key properties of 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide?
1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-enoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45242607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).