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

C24H27N3OS — CID 44528942

IUPAC1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(C(c2ccccc2)c2nc3ccccc3s2)CC1
InChIInChI=1S/C24H27N3OS/c28-23(25-16-17-10-11-17)19-12-14-27(15-13-19)22(18-6-2-1-3-7-18)24-26-20-8-4-5-9-21(20)29-24/h1-9,17,19,22H,10-16H2,(H,25,28)
InChIKeyBKOIPIODTIVJMZ-UHFFFAOYSA-N
MW405.57 g/mol
LogP4.62
Rot. Bonds6

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

1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide (PubChem CID 44528942) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
PubChem CID44528942
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(C(c2ccccc2)c2nc3ccccc3s2)CC1
InChIInChI=1S/C24H27N3OS/c28-23(25-16-17-10-11-17)19-12-14-27(15-13-19)22(18-6-2-1-3-7-18)24-26-20-8-4-5-9-21(20)29-24/h1-9,17,19,22H,10-16H2,(H,25,28)
InChIKeyBKOIPIODTIVJMZ-UHFFFAOYSA-N
XLogP4.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1,3-benzothiazol-2-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5185879
1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3662771
1-[1,3-benzothiazol-2-yl-(2-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3958005
1-[1,3-benzothiazol-2-yl-(2-bromophenyl)methyl]piperidine-4-carboxylic acid
CID 4019074
1-[1,3-benzothiazol-2-yl-(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 5092030
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
1-[1,3-benzothiazol-2-yl-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3894473
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
1-(3,3-diphenylpropyl)-N-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 25224577
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109178
1-[1,3-benzothiazol-2-yl-(5-bromothiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3935650
1-[1,3-benzothiazol-2-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3902125

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide (CID 44528942) is 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide is O=C(NCC1CC1)C1CCN(C(c2ccccc2)c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
The InChIKey is BKOIPIODTIVJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c28-23(25-16-17-10-11-17)19-12-14-27(15-13-19)22(18-6-2-1-3-7-18)24-26-20-8-4-5-9-21(20)29-24/h1-9,17,19,22H,10-16H2,(H,25,28).
What are the key properties of 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide?
1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide has a molecular weight of 405.57 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-benzothiazol-2-yl(phenyl)methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 44528942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).