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

C20H29ClN2O2 — CID 24758743

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide
SMILESCC[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-4-18(22-19(24)13-14(2)3)20(25)23-11-9-16(10-12-23)15-5-7-17(21)8-6-15/h5-8,14,16,18H,4,9-13H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyBIQLSSARYGLMJF-GOSISDBHSA-N
MW364.92 g/mol
LogP3.99
Rot. Bonds6

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

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide (PubChem CID 24758743) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide
PubChem CID24758743
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide
SMILESCC[C@@H](NC(=O)CC(C)C)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-4-18(22-19(24)13-14(2)3)20(25)23-11-9-16(10-12-23)15-5-7-17(21)8-6-15/h5-8,14,16,18H,4,9-13H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyBIQLSSARYGLMJF-GOSISDBHSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.99
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-methylbutanamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide (CID 24758743) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide is CC[C@@H](NC(=O)CC(C)C)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-methylbutanamide?
The InChIKey is BIQLSSARYGLMJF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-4-18(22-19(24)13-14(2)3)20(25)23-11-9-16(10-12-23)15-5-7-17(21)8-6-15/h5-8,14,16,18H,4,9-13H2,1-3H3,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-3-methylbutanamide has a molecular weight of 364.92 g/mol, XLogP of 3.99, 6 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-methylbutanamide is sourced from PubChem (CID 24758743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).