1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide

C20H29N3O3 — CID 23724272

IUPAC1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H29N3O3/c1-15(7-8-16-5-3-2-4-6-16)22-18(24)9-10-19(25)23-13-11-17(12-14-23)20(21)26/h2-6,15,17H,7-14H2,1H3,(H2,21,26)(H,22,24)
InChIKeyFFKLMXVFIRDVPL-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.63
Rot. Bonds8

About 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide

1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide (PubChem CID 23724272) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide
PubChem CID23724272
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C20H29N3O3/c1-15(7-8-16-5-3-2-4-6-16)22-18(24)9-10-19(25)23-13-11-17(12-14-23)20(21)26/h2-6,15,17H,7-14H2,1H3,(H2,21,26)(H,22,24)
InChIKeyFFKLMXVFIRDVPL-UHFFFAOYSA-N
XLogP1.63
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide (CID 23724272) is 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide is CC(CCc1ccccc1)NC(=O)CCC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide?
The InChIKey is FFKLMXVFIRDVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(7-8-16-5-3-2-4-6-16)22-18(24)9-10-19(25)23-13-11-17(12-14-23)20(21)26/h2-6,15,17H,7-14H2,1H3,(H2,21,26)(H,22,24).
What are the key properties of 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide?
1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-(4-phenylbutan-2-ylamino)butanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 23724272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).