N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C26H29N3O2S — CID 14500898

IUPACN-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1)C1CC1
InChIInChI=1S/C26H29N3O2S/c30-25(21-11-12-21)28-26-27-22(18-32-26)17-29-15-13-23(14-16-29)31-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21,23-24H,11-17H2,(H,27,28,30)
InChIKeyFNSQATHTIXRHMQ-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.26
Rot. Bonds8

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

N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 14500898) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID14500898
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1)C1CC1
InChIInChI=1S/C26H29N3O2S/c30-25(21-11-12-21)28-26-27-22(18-32-26)17-29-15-13-23(14-16-29)31-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21,23-24H,11-17H2,(H,27,28,30)
InChIKeyFNSQATHTIXRHMQ-UHFFFAOYSA-N
XLogP5.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanesulfonamide
CID 19854940
(3R)-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 30185192
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-phenylbutanamide
CID 43004964
N-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469833
6-[(4-benzhydryloxypiperidin-1-yl)methyl]-3-methoxypyridine-2-carboxylic acid
CID 89474416
benzyl N-[(1R,3R)-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]cyclopentyl]carbamate
CID 99783567
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 33211035
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
6-[[4-[(4-chlorophenyl)-phenylmethoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474378
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
6-[[4-[phenyl(1,3-thiazol-2-yl)methoxy]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 89474891

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 14500898) is N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nc(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cs1)C1CC1.
What is the InChIKey of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is FNSQATHTIXRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c30-25(21-11-12-21)28-26-27-22(18-32-26)17-29-15-13-23(14-16-29)31-24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21,23-24H,11-17H2,(H,27,28,30).
What are the key properties of N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 447.60 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzhydryloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 14500898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).