1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone

C17H33N3OS — CID 119622854

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone
SMILESCCN(CC)CCSCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H33N3OS/c1-3-19(4-2)11-12-22-14-17(21)20-9-7-16(8-10-20)18-13-15-5-6-15/h15-16,18H,3-14H2,1-2H3
InChIKeyFTKWZNMRYZEEGP-UHFFFAOYSA-N
MW327.54 g/mol
LogP2.05
Rot. Bonds10

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone (PubChem CID 119622854) has the molecular formula C17H33N3OS and a molecular weight of 327.54 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone
PubChem CID119622854
Molecular FormulaC17H33N3OS
Molecular Weight327.54 g/mol
Exact Mass327.23
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone
SMILESCCN(CC)CCSCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H33N3OS/c1-3-19(4-2)11-12-22-14-17(21)20-9-7-16(8-10-20)18-13-15-5-6-15/h15-16,18H,3-14H2,1-2H3
InChIKeyFTKWZNMRYZEEGP-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(diethylamino)ethylsulfanyl]-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119645558
1-[4-(aminomethyl)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone;dihydrochloride
CID 119423246
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
CID 119625023
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119622325
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenylethanone
CID 119622419
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenylethanone;hydrochloride
CID 119622418
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
1-[4-[2-(diethylamino)ethylamino]piperidin-1-yl]ethanone
CID 43222555
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one
CID 119622415
1-[4-[(4-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 114146739

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone (CID 119622854) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone is CCN(CC)CCSCC(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone?
The InChIKey is FTKWZNMRYZEEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3OS/c1-3-19(4-2)11-12-22-14-17(21)20-9-7-16(8-10-20)18-13-15-5-6-15/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone has a molecular weight of 327.54 g/mol, XLogP of 2.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone is sourced from PubChem (CID 119622854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).