1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

C21H24ClN3O2 — CID 9134253

IUPAC1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15-18(22)8-5-9-19(15)24-20(26)14-25-12-10-16(11-13-25)21(27)23-17-6-3-2-4-7-17/h2-9,16H,10-14H2,1H3,(H,23,27)(H,24,26)
InChIKeySDBNHCHDBHTUDP-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.94
Rot. Bonds5

About 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide

1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 9134253) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID9134253
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-15-18(22)8-5-9-19(15)24-20(26)14-25-12-10-16(11-13-25)21(27)23-17-6-3-2-4-7-17/h2-9,16H,10-14H2,1H3,(H,23,27)(H,24,26)
InChIKeySDBNHCHDBHTUDP-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
N-(3-chloro-2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]acetamide
CID 171327738
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide (CID 9134253) is 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is SDBNHCHDBHTUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15-18(22)8-5-9-19(15)24-20(26)14-25-12-10-16(11-13-25)21(27)23-17-6-3-2-4-7-17/h2-9,16H,10-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 9134253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).