1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide

C23H29ClN4O2S — CID 24586666

IUPAC1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)C1
InChIInChI=1S/C23H29ClN4O2S/c1-16-4-2-10-27(12-16)14-20-15-31-23(25-20)26-21(29)18-5-3-11-28(13-18)22(30)17-6-8-19(24)9-7-17/h6-9,15-16,18H,2-5,10-14H2,1H3,(H,25,26,29)
InChIKeyRYUUKKQNFFRBCL-UHFFFAOYSA-N
MW461.03 g/mol
LogP4.52
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 24586666) has the molecular formula C23H29ClN4O2S and a molecular weight of 461.03 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
PubChem CID24586666
Molecular FormulaC23H29ClN4O2S
Molecular Weight461.03 g/mol
Exact Mass460.17
IUPAC Name1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
SMILESCC1CCCN(Cc2csc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)C1
InChIInChI=1S/C23H29ClN4O2S/c1-16-4-2-10-27(12-16)14-20-15-31-23(25-20)26-21(29)18-5-3-11-28(13-18)22(30)17-6-8-19(24)9-7-17/h6-9,15-16,18H,2-5,10-14H2,1H3,(H,25,26,29)
InChIKeyRYUUKKQNFFRBCL-UHFFFAOYSA-N
XLogP4.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.03
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 74646134
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119831162
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51298742
(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 27282898
2-(2,6-dichlorophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46679995
(3R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 40792019
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-6-carboxamide
CID 55823340
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 46680057
4-(1,3-dithian-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 42929667

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 24586666) is 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is CC1CCCN(Cc2csc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)n2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
The InChIKey is RYUUKKQNFFRBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O2S/c1-16-4-2-10-27(12-16)14-20-15-31-23(25-20)26-21(29)18-5-3-11-28(13-18)22(30)17-6-8-19(24)9-7-17/h6-9,15-16,18H,2-5,10-14H2,1H3,(H,25,26,29).
What are the key properties of 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 461.03 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 24586666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).