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

C18H21Cl2N3OS — CID 110215566

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H21Cl2N3OS/c1-12(24)22-17(18-21-6-8-25-18)14-3-2-7-23(11-14)10-13-4-5-15(19)16(20)9-13/h4-6,8-9,14,17H,2-3,7,10-11H2,1H3,(H,22,24)
InChIKeyVJEWBXQKKFUZPD-UHFFFAOYSA-N
MW398.36 g/mol
LogP4.54
Rot. Bonds5

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

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 110215566) has the molecular formula C18H21Cl2N3OS and a molecular weight of 398.36 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID110215566
Molecular FormulaC18H21Cl2N3OS
Molecular Weight398.36 g/mol
Exact Mass397.08
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H21Cl2N3OS/c1-12(24)22-17(18-21-6-8-25-18)14-3-2-7-23(11-14)10-13-4-5-15(19)16(20)9-13/h4-6,8-9,14,17H,2-3,7,10-11H2,1H3,(H,22,24)
InChIKeyVJEWBXQKKFUZPD-UHFFFAOYSA-N
XLogP4.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583
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-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
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-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92569528
N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215615
N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929
N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 92574131
N-[(S)-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide
CID 92579029
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 110215566) is N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NC(c1nccs1)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is VJEWBXQKKFUZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3OS/c1-12(24)22-17(18-21-6-8-25-18)14-3-2-7-23(11-14)10-13-4-5-15(19)16(20)9-13/h4-6,8-9,14,17H,2-3,7,10-11H2,1H3,(H,22,24).
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 398.36 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110215566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).