N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide

C15H25N3O2S — CID 163352501

IUPACN-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(=O)N2CCSCC2)C1)NC1CC1
InChIInChI=1S/C15H25N3O2S/c19-14(16-13-3-4-13)11-17-5-1-2-12(10-17)15(20)18-6-8-21-9-7-18/h12-13H,1-11H2,(H,16,19)
InChIKeyMSWXJOKNVHUEHS-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.55
Rot. Bonds4

About N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide

N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide (PubChem CID 163352501) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide
PubChem CID163352501
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(=O)N2CCSCC2)C1)NC1CC1
InChIInChI=1S/C15H25N3O2S/c19-14(16-13-3-4-13)11-17-5-1-2-12(10-17)15(20)18-6-8-21-9-7-18/h12-13H,1-11H2,(H,16,19)
InChIKeyMSWXJOKNVHUEHS-UHFFFAOYSA-N
XLogP0.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920121
N-cyclohexyl-2-[3-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 165434073
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614
N-cyclopropyl-2-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]acetamide
CID 95576047
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
N-(2-methylcyclohexyl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 134051309
N-(4-fluorophenyl)-2-[3-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 165434141
cycloheptyl(thiomorpholin-4-yl)methanone
CID 71934333
N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55789986

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide (CID 163352501) is N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(C(=O)N2CCSCC2)C1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is MSWXJOKNVHUEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c19-14(16-13-3-4-13)11-17-5-1-2-12(10-17)15(20)18-6-8-21-9-7-18/h12-13H,1-11H2,(H,16,19).
What are the key properties of N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide?
N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 311.45 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 163352501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).