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

C18H28N2O2S — CID 111438676

IUPACN-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCSc1ccc(C(C)NC(=O)N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-4-23-17-7-5-15(6-8-17)13(2)19-18(22)20-11-9-16(10-12-20)14(3)21/h5-8,13-14,16,21H,4,9-12H2,1-3H3,(H,19,22)
InChIKeySCVZBZMRZGXPGP-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.66
Rot. Bonds5

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

N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111438676) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111438676
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCCSc1ccc(C(C)NC(=O)N2CCC(C(C)O)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-4-23-17-7-5-15(6-8-17)13(2)19-18(22)20-11-9-16(10-12-20)14(3)21/h5-8,13-14,16,21H,4,9-12H2,1-3H3,(H,19,22)
InChIKeySCVZBZMRZGXPGP-UHFFFAOYSA-N
XLogP3.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]piperidine-1-carboxamide
CID 95977786
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
4-[(1R)-1-hydroxyethyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-1-carboxamide
CID 95348703
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322
N-[cyclobutyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438681
(3R)-3-[(dimethylamino)methyl]-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 99626946
N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
CID 115769694
4-[1-(4-ethylsulfanylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031139
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111438676) is N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CCSc1ccc(C(C)NC(=O)N2CCC(C(C)O)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is SCVZBZMRZGXPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-4-23-17-7-5-15(6-8-17)13(2)19-18(22)20-11-9-16(10-12-20)14(3)21/h5-8,13-14,16,21H,4,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfanylphenyl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111438676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).