1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide

C14H18N2O3S — CID 61030828

IUPAC1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CSc2ccc(O)cc2)C1
InChIInChI=1S/C14H18N2O3S/c15-14(19)10-2-1-7-16(8-10)13(18)9-20-12-5-3-11(17)4-6-12/h3-6,10,17H,1-2,7-9H2,(H2,15,19)
InChIKeySZQUMXNMIUOVKX-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.21
Rot. Bonds4

About 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide

1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide (PubChem CID 61030828) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
PubChem CID61030828
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CSc2ccc(O)cc2)C1
InChIInChI=1S/C14H18N2O3S/c15-14(19)10-2-1-7-16(8-10)13(18)9-20-12-5-3-11(17)4-6-12/h3-6,10,17H,1-2,7-9H2,(H2,15,19)
InChIKeySZQUMXNMIUOVKX-UHFFFAOYSA-N
XLogP1.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 61031200
1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 60705262
(3S)-1-[2-(4-propan-2-ylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 119173833
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
1-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784822
1-[2-(2-amino-5-bromophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 79520324
methyl 1-[2-(4-bromophenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78918852
1-(3-aminopiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 119379820
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
CID 104904525
2-(4-hydroxyphenyl)sulfanyl-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 124848351
(3S)-1-[2-(3-bromophenyl)sulfanylacetyl]pyrrolidine-3-carboxamide
CID 97331093
1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 134028786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide (CID 61030828) is 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CSc2ccc(O)cc2)C1.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide?
The InChIKey is SZQUMXNMIUOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c15-14(19)10-2-1-7-16(8-10)13(18)9-20-12-5-3-11(17)4-6-12/h3-6,10,17H,1-2,7-9H2,(H2,15,19).
What are the key properties of 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide?
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 61030828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).