N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide

C20H27N3O2S — CID 91913476

IUPACN-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide
SMILESCC(C)NC(=O)c1ccccc1OCC1CCCN(Cc2nccs2)C1
InChIInChI=1S/C20H27N3O2S/c1-15(2)22-20(24)17-7-3-4-8-18(17)25-14-16-6-5-10-23(12-16)13-19-21-9-11-26-19/h3-4,7-9,11,15-16H,5-6,10,12-14H2,1-2H3,(H,22,24)
InChIKeyYFQRGMQXPOGAHU-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.57
Rot. Bonds7

About N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide

N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide (PubChem CID 91913476) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide
PubChem CID91913476
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide
SMILESCC(C)NC(=O)c1ccccc1OCC1CCCN(Cc2nccs2)C1
InChIInChI=1S/C20H27N3O2S/c1-15(2)22-20(24)17-7-3-4-8-18(17)25-14-16-6-5-10-23(12-16)13-19-21-9-11-26-19/h3-4,7-9,11,15-16H,5-6,10,12-14H2,1-2H3,(H,22,24)
InChIKeyYFQRGMQXPOGAHU-UHFFFAOYSA-N
XLogP3.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[[1-(3-methylbutyl)piperidin-3-yl]methoxy]benzamide
CID 91913506
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861
2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 35844295
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
methyl 2-[3-[(2-iodophenoxy)methyl]piperidin-1-yl]acetate
CID 165429412
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679
2-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357599
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 127246448
2-amino-N-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-3-methoxybenzamide
CID 123361449
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide?
The IUPAC name of N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide (CID 91913476) is N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide.
What is the SMILES notation for N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide?
The canonical SMILES for N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide is CC(C)NC(=O)c1ccccc1OCC1CCCN(Cc2nccs2)C1.
What is the InChIKey of N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide?
The InChIKey is YFQRGMQXPOGAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-15(2)22-20(24)17-7-3-4-8-18(17)25-14-16-6-5-10-23(12-16)13-19-21-9-11-26-19/h3-4,7-9,11,15-16H,5-6,10,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide?
N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide has a molecular weight of 373.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methoxy]benzamide is sourced from PubChem (CID 91913476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).