N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide

C23H29ClN2O3 — CID 25447187

IUPACN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1OC
InChIInChI=1S/C23H29ClN2O3/c1-28-21-11-7-17(14-22(21)29-2)8-12-23(27)25-20-4-3-13-26(16-20)15-18-5-9-19(24)10-6-18/h5-7,9-11,14,20H,3-4,8,12-13,15-16H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyHPRWVGITFBBFOC-HXUWFJFHSA-N
MW416.95 g/mol
LogP4.07
Rot. Bonds8

About N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide

N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 25447187) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID25447187
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC NameN-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1OC
InChIInChI=1S/C23H29ClN2O3/c1-28-21-11-7-17(14-22(21)29-2)8-12-23(27)25-20-4-3-13-26(16-20)15-18-5-9-19(24)10-6-18/h5-7,9-11,14,20H,3-4,8,12-13,15-16H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyHPRWVGITFBBFOC-HXUWFJFHSA-N
XLogP4.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 52532296
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
3-(3,4-dimethoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453910
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-[(3R)-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 95249651
N-[1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 56785606

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide (CID 25447187) is N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1OC.
What is the InChIKey of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is HPRWVGITFBBFOC-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-28-21-11-7-17(14-22(21)29-2)8-12-23(27)25-20-4-3-13-26(16-20)15-18-5-9-19(24)10-6-18/h5-7,9-11,14,20H,3-4,8,12-13,15-16H2,1-2H3,(H,25,27)/t20-/m1/s1.
What are the key properties of N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 416.95 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 25447187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).