3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide

C20H24ClN3O2S — CID 24655711

IUPAC3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H24ClN3O2S/c1-2-23(14-17-10-11-18(21)27-17)19(25)15-7-6-12-24(13-15)20(26)22-16-8-4-3-5-9-16/h3-5,8-11,15H,2,6-7,12-14H2,1H3,(H,22,26)
InChIKeyJZXSKCYUGMEBRR-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.69
Rot. Bonds5

About 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 24655711) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID24655711
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC Name3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H24ClN3O2S/c1-2-23(14-17-10-11-18(21)27-17)19(25)15-7-6-12-24(13-15)20(26)22-16-8-4-3-5-9-16/h3-5,8-11,15H,2,6-7,12-14H2,1H3,(H,22,26)
InChIKeyJZXSKCYUGMEBRR-UHFFFAOYSA-N
XLogP4.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-N-[(5-chlorothiophen-2-yl)methyl]-1-N-phenyl-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 9087397
N-[(5-chlorothiophen-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-ethylpiperidine-3-carboxamide
CID 55683478
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
(3R)-1-N-phenyl-3-N-(2-thiophen-2-ylethyl)-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 41166850
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 66008961
2-[cyclopropyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119202408

Frequently Asked Questions

What is the IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide (CID 24655711) is 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide is CCN(Cc1ccc(Cl)s1)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is JZXSKCYUGMEBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-2-23(14-17-10-11-18(21)27-17)19(25)15-7-6-12-24(13-15)20(26)22-16-8-4-3-5-9-16/h3-5,8-11,15H,2,6-7,12-14H2,1H3,(H,22,26).
What are the key properties of 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 405.95 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 24655711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).