N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide

C25H38N2O2 — CID 55692324

IUPACN-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCCCCC1CCC(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H38N2O2/c1-2-3-7-21-10-13-22(14-11-21)25(29)27-18-16-23(17-19-27)26-24(28)15-12-20-8-5-4-6-9-20/h4-6,8-9,21-23H,2-3,7,10-19H2,1H3,(H,26,28)
InChIKeyKODGFTMOOTZDHJ-UHFFFAOYSA-N
MW398.59 g/mol
LogP4.72
Rot. Bonds8

About N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide

N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55692324) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID55692324
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC NameN-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCCCCC1CCC(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1
InChIInChI=1S/C25H38N2O2/c1-2-3-7-21-10-13-22(14-11-21)25(29)27-18-16-23(17-19-27)26-24(28)15-12-20-8-5-4-6-9-20/h4-6,8-9,21-23H,2-3,7,10-19H2,1H3,(H,26,28)
InChIKeyKODGFTMOOTZDHJ-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55962161
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 60591003
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-[1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 46464404
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide (CID 55692324) is N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide is CCCCC1CCC(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1.
What is the InChIKey of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is KODGFTMOOTZDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-2-3-7-21-10-13-22(14-11-21)25(29)27-18-16-23(17-19-27)26-24(28)15-12-20-8-5-4-6-9-20/h4-6,8-9,21-23H,2-3,7,10-19H2,1H3,(H,26,28).
What are the key properties of N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 398.59 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55692324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).