3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one

C25H35NOS — CID 10715845

IUPAC3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one
SMILESCC(C)(CCc1ccc(CCCc2ccccc2)s1)CC(=O)N1CCCCC1
InChIInChI=1S/C25H35NOS/c1-25(2,20-24(27)26-18-7-4-8-19-26)17-16-23-15-14-22(28-23)13-9-12-21-10-5-3-6-11-21/h3,5-6,10-11,14-15H,4,7-9,12-13,16-20H2,1-2H3
InChIKeyUPYJPOVHNPREHE-UHFFFAOYSA-N
MW397.63 g/mol
LogP6.28
Rot. Bonds9

About 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one

3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one (PubChem CID 10715845) has the molecular formula C25H35NOS and a molecular weight of 397.63 g/mol. Its IUPAC name is 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one
PubChem CID10715845
Molecular FormulaC25H35NOS
Molecular Weight397.63 g/mol
Exact Mass397.24
IUPAC Name3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one
SMILESCC(C)(CCc1ccc(CCCc2ccccc2)s1)CC(=O)N1CCCCC1
InChIInChI=1S/C25H35NOS/c1-25(2,20-24(27)26-18-7-4-8-19-26)17-16-23-15-14-22(28-23)13-9-12-21-10-5-3-6-11-21/h3,5-6,10-11,14-15H,4,7-9,12-13,16-20H2,1-2H3
InChIKeyUPYJPOVHNPREHE-UHFFFAOYSA-N
XLogP6.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.63
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[5-[3-(2-chlorophenyl)propyl]thiophen-2-yl]-3,3-dimethyl-1-morpholin-4-ylpentan-1-one
CID 11797070
2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene
CID 88505006
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
3-(azepan-1-yl)-3-methyl-5-phenylpentanoic acid
CID 64528496
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
4-[3,3-dimethyl-5-[5-(2-phenylethyl)thiophen-2-yl]pentyl]morpholine
CID 10714298
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
5-phenyl-2-piperidin-1-ylpentan-2-ol
CID 67739999

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one?
The IUPAC name of 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one (CID 10715845) is 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one?
The canonical SMILES for 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one is CC(C)(CCc1ccc(CCCc2ccccc2)s1)CC(=O)N1CCCCC1.
What is the InChIKey of 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one?
The InChIKey is UPYJPOVHNPREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NOS/c1-25(2,20-24(27)26-18-7-4-8-19-26)17-16-23-15-14-22(28-23)13-9-12-21-10-5-3-6-11-21/h3,5-6,10-11,14-15H,4,7-9,12-13,16-20H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one?
3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one has a molecular weight of 397.63 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 10715845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).