4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide

C18H27N3O2S — CID 95977786

IUPAC4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide
SMILESCCSc1ccc([C@H](C)NC(=O)N2CCC(NC(C)=O)CC2)cc1
InChIInChI=1S/C18H27N3O2S/c1-4-24-17-7-5-15(6-8-17)13(2)19-18(23)21-11-9-16(10-12-21)20-14(3)22/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyLRSCHNQKYUZDKQ-ZDUSSCGKSA-N
MW349.50 g/mol
LogP3.17
Rot. Bonds5

About 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide

4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 95977786) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID95977786
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide
SMILESCCSc1ccc([C@H](C)NC(=O)N2CCC(NC(C)=O)CC2)cc1
InChIInChI=1S/C18H27N3O2S/c1-4-24-17-7-5-15(6-8-17)13(2)19-18(23)21-11-9-16(10-12-21)20-14(3)22/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyLRSCHNQKYUZDKQ-ZDUSSCGKSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438676
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 86861417
N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
CID 115769694
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(4-propan-2-ylsulfanylphenyl)ethyl]urea
CID 86889681
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 99626946
N-[1-(4-ethylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 119318070
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119318058

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide (CID 95977786) is 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide is CCSc1ccc([C@H](C)NC(=O)N2CCC(NC(C)=O)CC2)cc1.
What is the InChIKey of 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is LRSCHNQKYUZDKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-4-24-17-7-5-15(6-8-17)13(2)19-18(23)21-11-9-16(10-12-21)20-14(3)22/h5-8,13,16H,4,9-12H2,1-3H3,(H,19,23)(H,20,22)/t13-/m0/s1.
What are the key properties of 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide?
4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 349.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95977786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).