1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H26N4O2S — CID 55895664

IUPAC1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)CCCc2nc3ccccc3s2)C1
InChIInChI=1S/C23H26N4O2S/c1-16-7-5-13-24-22(16)26-23(29)17-8-6-14-27(15-17)21(28)12-4-11-20-25-18-9-2-3-10-19(18)30-20/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14-15H2,1H3,(H,24,26,29)
InChIKeyXPUAPMSQQZPHDY-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.20
Rot. Bonds6

About 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55895664) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55895664
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)CCCc2nc3ccccc3s2)C1
InChIInChI=1S/C23H26N4O2S/c1-16-7-5-13-24-22(16)26-23(29)17-8-6-14-27(15-17)21(28)12-4-11-20-25-18-9-2-3-10-19(18)30-20/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14-15H2,1H3,(H,24,26,29)
InChIKeyXPUAPMSQQZPHDY-UHFFFAOYSA-N
XLogP4.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-1-[3-(methylamino)piperidin-1-yl]pentan-1-one
CID 119487769
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
(3R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125149514
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
4-(1,3-benzothiazol-2-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119546602
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55812910
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
tert-butyl N-[(1R)-1-[(3R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]piperidin-3-yl]ethyl]carbamate
CID 96541332
3-(1,3-benzothiazol-2-yl)-1-[(3R)-3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 42564843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55895664) is 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)CCCc2nc3ccccc3s2)C1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is XPUAPMSQQZPHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-16-7-5-13-24-22(16)26-23(29)17-8-6-14-27(15-17)21(28)12-4-11-20-25-18-9-2-3-10-19(18)30-20/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14-15H2,1H3,(H,24,26,29).
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55895664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).