N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide

C24H29ClN2O2 — CID 24758745

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
SMILESCC[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClN2O2/c1-2-22(26-23(28)13-8-18-6-4-3-5-7-18)24(29)27-16-14-20(15-17-27)19-9-11-21(25)12-10-19/h3-7,9-12,20,22H,2,8,13-17H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeySVXDYXFHEFHRLD-JOCHJYFZSA-N
MW412.96 g/mol
LogP4.57
Rot. Bonds7

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide (PubChem CID 24758745) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
PubChem CID24758745
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide
SMILESCC[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H29ClN2O2/c1-2-22(26-23(28)13-8-18-6-4-3-5-7-18)24(29)27-16-14-20(15-17-27)19-9-11-21(25)12-10-19/h3-7,9-12,20,22H,2,8,13-17H2,1H3,(H,26,28)/t22-/m1/s1
InChIKeySVXDYXFHEFHRLD-JOCHJYFZSA-N
XLogP4.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide (CID 24758745) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide is CC[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide?
The InChIKey is SVXDYXFHEFHRLD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-2-22(26-23(28)13-8-18-6-4-3-5-7-18)24(29)27-16-14-20(15-17-27)19-9-11-21(25)12-10-19/h3-7,9-12,20,22H,2,8,13-17H2,1H3,(H,26,28)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide has a molecular weight of 412.96 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 24758745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).