N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide

C21H25ClN2O2S — CID 45236016

IUPACN-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide
SMILESCc1ccsc1C(=O)N1CCCC(CCC(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN2O2S/c1-15-10-12-27-20(15)21(26)24-11-4-5-16(14-24)8-9-19(25)23-13-17-6-2-3-7-18(17)22/h2-3,6-7,10,12,16H,4-5,8-9,11,13-14H2,1H3,(H,23,25)
InChIKeySDBYRLBUSCKIOL-UHFFFAOYSA-N
MW404.96 g/mol
LogP4.66
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide (PubChem CID 45236016) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide
PubChem CID45236016
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide
SMILESCc1ccsc1C(=O)N1CCCC(CCC(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C21H25ClN2O2S/c1-15-10-12-27-20(15)21(26)24-11-4-5-16(14-24)8-9-19(25)23-13-17-6-2-3-7-18(17)22/h2-3,6-7,10,12,16H,4-5,8-9,11,13-14H2,1H3,(H,23,25)
InChIKeySDBYRLBUSCKIOL-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 42462767
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CID 42415691
N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
CID 25306946
N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
CID 72910051
N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 72937068
N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 72856039
N-[(2-chlorophenyl)methyl]-3-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]propanamide
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N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide (CID 45236016) is N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide is Cc1ccsc1C(=O)N1CCCC(CCC(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is SDBYRLBUSCKIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c1-15-10-12-27-20(15)21(26)24-11-4-5-16(14-24)8-9-19(25)23-13-17-6-2-3-7-18(17)22/h2-3,6-7,10,12,16H,4-5,8-9,11,13-14H2,1H3,(H,23,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 404.96 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45236016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).