N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide

C25H29N3O2S — CID 110215583

IUPACN-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1cccc(-c2ccc(CN3CCCC(C(NC(C)=O)c4nccs4)C3)cc2)c1
InChIInChI=1S/C25H29N3O2S/c1-18(29)27-24(25-26-12-14-31-25)22-6-4-13-28(17-22)16-19-8-10-20(11-9-19)21-5-3-7-23(15-21)30-2/h3,5,7-12,14-15,22,24H,4,6,13,16-17H2,1-2H3,(H,27,29)
InChIKeyNKZVWMQBXHPTBK-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.91
Rot. Bonds7

About N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide

N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 110215583) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID110215583
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCOc1cccc(-c2ccc(CN3CCCC(C(NC(C)=O)c4nccs4)C3)cc2)c1
InChIInChI=1S/C25H29N3O2S/c1-18(29)27-24(25-26-12-14-31-25)22-6-4-13-28(17-22)16-19-8-10-20(11-9-19)21-5-3-7-23(15-21)30-2/h3,5,7-12,14-15,22,24H,4,6,13,16-17H2,1-2H3,(H,27,29)
InChIKeyNKZVWMQBXHPTBK-UHFFFAOYSA-N
XLogP4.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566
N-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
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-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215595
N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92569528
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 25482833
N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 93239140
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
CID 171667022
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110243763

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 110215583) is N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is COc1cccc(-c2ccc(CN3CCCC(C(NC(C)=O)c4nccs4)C3)cc2)c1.
What is the InChIKey of N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is NKZVWMQBXHPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-18(29)27-24(25-26-12-14-31-25)22-6-4-13-28(17-22)16-19-8-10-20(11-9-19)21-5-3-7-23(15-21)30-2/h3,5,7-12,14-15,22,24H,4,6,13,16-17H2,1-2H3,(H,27,29).
What are the key properties of N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 435.59 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110215583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).