1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one

C19H24N2OS — CID 95714959

IUPAC1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
SMILESCc1ncsc1CN1CCC[C@H](C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H24N2OS/c1-15-19(23-14-20-15)13-21-11-5-8-17(12-21)18(22)10-9-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m0/s1
InChIKeyBTRGNJVONJAKJI-KRWDZBQOSA-N
MW328.48 g/mol
LogP3.87
Rot. Bonds6

About 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one

1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one (PubChem CID 95714959) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
PubChem CID95714959
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
SMILESCc1ncsc1CN1CCC[C@H](C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H24N2OS/c1-15-19(23-14-20-15)13-21-11-5-8-17(12-21)18(22)10-9-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m0/s1
InChIKeyBTRGNJVONJAKJI-KRWDZBQOSA-N
XLogP3.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 56918400
5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 70766458
(3S)-N-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124516725
N-methyl-3-[[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95727068
3-phenyl-1-[(3R)-1-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]propan-1-one
CID 95714413
1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56896479
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 96577086
1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
(5S,6S)-1-benzyl-8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,8-diazaspiro[4.5]decan-6-ol
CID 110159406
1-[(3R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 25448073
(3R,4S)-3-benzyl-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 164694563

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one (CID 95714959) is 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one is Cc1ncsc1CN1CCC[C@H](C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is BTRGNJVONJAKJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-15-19(23-14-20-15)13-21-11-5-8-17(12-21)18(22)10-9-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one?
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 328.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 95714959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).