N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide

C16H24N2O2S — CID 114627443

IUPACN-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCCCOc1ccccc1
InChIInChI=1S/C16H24N2O2S/c19-16(13-21-15-7-10-17-11-8-15)18-9-4-12-20-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,18,19)
InChIKeyBJXGITWSWCVCPD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.06
Rot. Bonds8

About N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide

N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627443) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627443
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCCCOc1ccccc1
InChIInChI=1S/C16H24N2O2S/c19-16(13-21-15-7-10-17-11-8-15)18-9-4-12-20-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,18,19)
InChIKeyBJXGITWSWCVCPD-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenoxypropyl)-3-piperidin-4-ylpropanamide
CID 62378766
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
N-(6-hydroxyhexyl)-2-piperidin-4-ylsulfanylacetamide
CID 107842483
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 66290707
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
CID 67648354
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626456
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide (CID 114627443) is N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)NCCCOc1ccccc1.
What is the InChIKey of N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is BJXGITWSWCVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(13-21-15-7-10-17-11-8-15)18-9-4-12-20-14-5-2-1-3-6-14/h1-3,5-6,15,17H,4,7-13H2,(H,18,19).
What are the key properties of N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide?
N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 308.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).