N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide

C12H17N3O2S — CID 164639964

IUPACN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide
SMILESCN1C[C@@H](NC(=O)CCc2cncs2)CCC1=O
InChIInChI=1S/C12H17N3O2S/c1-15-7-9(2-5-12(15)17)14-11(16)4-3-10-6-13-8-18-10/h6,8-9H,2-5,7H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyUVPOVQCRJZYRSC-VIFPVBQESA-N
MW267.35 g/mol
LogP0.81
Rot. Bonds4

About N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide

N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide (PubChem CID 164639964) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide
PubChem CID164639964
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide
SMILESCN1C[C@@H](NC(=O)CCc2cncs2)CCC1=O
InChIInChI=1S/C12H17N3O2S/c1-15-7-9(2-5-12(15)17)14-11(16)4-3-10-6-13-8-18-10/h6,8-9H,2-5,7H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyUVPOVQCRJZYRSC-VIFPVBQESA-N
XLogP0.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide (CID 164639964) is N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide is CN1C[C@@H](NC(=O)CCc2cncs2)CCC1=O.
What is the InChIKey of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide?
The InChIKey is UVPOVQCRJZYRSC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15-7-9(2-5-12(15)17)14-11(16)4-3-10-6-13-8-18-10/h6,8-9H,2-5,7H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide?
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide has a molecular weight of 267.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-(1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 164639964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).