N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C17H29N3OS — CID 50956753

IUPACN-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCC2CCCCN2C)cs1
InChIInChI=1S/C17H29N3OS/c1-13(2)17-18-14(12-22-17)11-20(4)16(21)9-8-15-7-5-6-10-19(15)3/h12-13,15H,5-11H2,1-4H3
InChIKeyIMXUSMFFEGMDMZ-UHFFFAOYSA-N
MW323.51 g/mol
LogP3.49
Rot. Bonds6

About N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 50956753) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID50956753
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC NameN-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CN(C)C(=O)CCC2CCCCN2C)cs1
InChIInChI=1S/C17H29N3OS/c1-13(2)17-18-14(12-22-17)11-20(4)16(21)9-8-15-7-5-6-10-19(15)3/h12-13,15H,5-11H2,1-4H3
InChIKeyIMXUSMFFEGMDMZ-UHFFFAOYSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[(2R)-1-methylpiperidin-2-yl]-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 97189300
N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97191951
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
1-cyclopentyl-N-methyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 72933035
N-(2-hydroxyethyl)-3-[(2R)-1-methylpiperidin-2-yl]-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 97197758
N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 46992210
3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
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N-methyl-3-(1-methylpiperidin-2-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 50967172
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 47031583
N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 50956753) is N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)c1nc(CN(C)C(=O)CCC2CCCCN2C)cs1.
What is the InChIKey of N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is IMXUSMFFEGMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-13(2)17-18-14(12-22-17)11-20(4)16(21)9-8-15-7-5-6-10-19(15)3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 323.51 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpiperidin-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 50956753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).