N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide

C24H33N3O3 — CID 42456235

IUPACN-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C24H33N3O3/c28-22(9-6-18-4-2-1-3-5-18)24(30)27-16-12-21(13-17-27)26-14-10-19(11-15-26)23(29)25-20-7-8-20/h1-5,19-21H,6-17H2,(H,25,29)
InChIKeyYCLLKTHRCRLVPI-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.17
Rot. Bonds7

About N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42456235) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42456235
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(CCc1ccccc1)C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1
InChIInChI=1S/C24H33N3O3/c28-22(9-6-18-4-2-1-3-5-18)24(30)27-16-12-21(13-17-27)26-14-10-19(11-15-26)23(29)25-20-7-8-20/h1-5,19-21H,6-17H2,(H,25,29)
InChIKeyYCLLKTHRCRLVPI-UHFFFAOYSA-N
XLogP2.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
4-N-benzyl-1-N-(1-cyclopropylpiperidin-4-yl)piperidine-1,4-dicarboxamide
CID 87003142
N-cyclopropyl-1-[(3R)-3-methyl-5-phenylpentanoyl]piperidine-4-carboxamide
CID 94823413
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
CID 25461334
N-cyclopropyl-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45232924
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-cyclopropyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42395399

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42456235) is N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide is O=C(CCc1ccccc1)C(=O)N1CCC(N2CCC(C(=O)NC3CC3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is YCLLKTHRCRLVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c28-22(9-6-18-4-2-1-3-5-18)24(30)27-16-12-21(13-17-27)26-14-10-19(11-15-26)23(29)25-20-7-8-20/h1-5,19-21H,6-17H2,(H,25,29).
What are the key properties of N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(2-oxo-4-phenylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42456235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).