N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide

C21H25ClN2O3 — CID 25325208

IUPACN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C21H25ClN2O3/c1-26-18-9-10-19(20(12-18)27-2)21(25)23-17-4-3-11-24(14-17)13-15-5-7-16(22)8-6-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyKJBVBBKOUWYLTN-KRWDZBQOSA-N
MW388.90 g/mol
LogP3.75
Rot. Bonds6

About N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide

N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide (PubChem CID 25325208) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
PubChem CID25325208
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C21H25ClN2O3/c1-26-18-9-10-19(20(12-18)27-2)21(25)23-17-4-3-11-24(14-17)13-15-5-7-16(22)8-6-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,23,25)/t17-/m0/s1
InChIKeyKJBVBBKOUWYLTN-KRWDZBQOSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25447187
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-(2,4-dimethoxyphenyl)methanone
CID 26400044
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-4-methoxypyridine-2-carboxamide
CID 126448618
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide (CID 25325208) is N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(OC)c1.
What is the InChIKey of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide?
The InChIKey is KJBVBBKOUWYLTN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-26-18-9-10-19(20(12-18)27-2)21(25)23-17-4-3-11-24(14-17)13-15-5-7-16(22)8-6-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,23,25)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide?
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide has a molecular weight of 388.90 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 25325208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).