1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone

C21H26N2OS — CID 119622711

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H26N2OS/c24-21(23-11-9-19(10-12-23)22-14-16-5-6-16)15-25-20-8-7-17-3-1-2-4-18(17)13-20/h1-4,7-8,13,16,19,22H,5-6,9-12,14-15H2
InChIKeyFVMDLIIFSNSSNR-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.92
Rot. Bonds6

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone (PubChem CID 119622711) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
PubChem CID119622711
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H26N2OS/c24-21(23-11-9-19(10-12-23)22-14-16-5-6-16)15-25-20-8-7-17-3-1-2-4-18(17)13-20/h1-4,7-8,13,16,19,22H,5-6,9-12,14-15H2
InChIKeyFVMDLIIFSNSSNR-UHFFFAOYSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 119373976
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone;hydrochloride
CID 119624730
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenylethanone
CID 119622419
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-1-phenylethanone;hydrochloride
CID 119622418
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 119624562
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158
methyl 1-[2-(2-naphthalen-2-ylsulfanylacetyl)oxyacetyl]piperidine-4-carboxylate
CID 7795692
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456
N-(cyclopropylmethyl)-1-naphthalen-2-ylsulfonylpiperidin-4-amine;hydrochloride
CID 119987587
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 119649621
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 119624305

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone (CID 119622711) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone is O=C(CSc1ccc2ccccc2c1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone?
The InChIKey is FVMDLIIFSNSSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-21(23-11-9-19(10-12-23)22-14-16-5-6-16)15-25-20-8-7-17-3-1-2-4-18(17)13-20/h1-4,7-8,13,16,19,22H,5-6,9-12,14-15H2.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone has a molecular weight of 354.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone is sourced from PubChem (CID 119622711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).