N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide

C23H31N3O2S — CID 110215595

IUPACN-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(CN2CCCC(C(NC(=O)C3CC3)c3nccs3)C2)cc1
InChIInChI=1S/C23H31N3O2S/c1-16(2)28-20-9-5-17(6-10-20)14-26-12-3-4-19(15-26)21(23-24-11-13-29-23)25-22(27)18-7-8-18/h5-6,9-11,13,16,18-19,21H,3-4,7-8,12,14-15H2,1-2H3,(H,25,27)
InChIKeyDAMWBOGYLLXOCT-UHFFFAOYSA-N
MW413.59 g/mol
LogP4.41
Rot. Bonds8

About N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide

N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 110215595) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
PubChem CID110215595
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC NameN-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
SMILESCC(C)Oc1ccc(CN2CCCC(C(NC(=O)C3CC3)c3nccs3)C2)cc1
InChIInChI=1S/C23H31N3O2S/c1-16(2)28-20-9-5-17(6-10-20)14-26-12-3-4-19(15-26)21(23-24-11-13-29-23)25-22(27)18-7-8-18/h5-6,9-11,13,16,18-19,21H,3-4,7-8,12,14-15H2,1-2H3,(H,25,27)
InChIKeyDAMWBOGYLLXOCT-UHFFFAOYSA-N
XLogP4.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92569528
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
CID 171667022
N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 93239140
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 92574131
N-[(R)-[(3S)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 124818980
N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215615
N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215571
N-[(S)-[(3S)-1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 95795545

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide (CID 110215595) is N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide is CC(C)Oc1ccc(CN2CCCC(C(NC(=O)C3CC3)c3nccs3)C2)cc1.
What is the InChIKey of N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is DAMWBOGYLLXOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-16(2)28-20-9-5-17(6-10-20)14-26-12-3-4-19(15-26)21(23-24-11-13-29-23)25-22(27)18-7-8-18/h5-6,9-11,13,16,18-19,21H,3-4,7-8,12,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 413.59 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 110215595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).