N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide

C22H34N2O2 — CID 55962161

IUPACN-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCCCCC(CC)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-3-5-11-19(4-2)22(26)24-16-14-20(15-17-24)23-21(25)13-12-18-9-7-6-8-10-18/h6-10,19-20H,3-5,11-17H2,1-2H3,(H,23,25)
InChIKeyLFCSFDPENMPJMQ-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.94
Rot. Bonds9

About N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide

N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55962161) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID55962161
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide
SMILESCCCCC(CC)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-3-5-11-19(4-2)22(26)24-16-14-20(15-17-24)23-21(25)13-12-18-9-7-6-8-10-18/h6-10,19-20H,3-5,11-17H2,1-2H3,(H,23,25)
InChIKeyLFCSFDPENMPJMQ-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 55949745
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692324
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 55949747
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
3-phenyl-N-[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]propanamide
CID 55965713

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide (CID 55962161) is N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide is CCCCC(CC)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is LFCSFDPENMPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-3-5-11-19(4-2)22(26)24-16-14-20(15-17-24)23-21(25)13-12-18-9-7-6-8-10-18/h6-10,19-20H,3-5,11-17H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide?
N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 358.53 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylhexanoyl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55962161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).