N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide

C20H21N3OS — CID 119268823

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CCCNC1
InChIInChI=1S/C20H21N3OS/c24-20(15-4-3-11-21-13-15)22-16-9-7-14(8-10-16)12-19-23-17-5-1-2-6-18(17)25-19/h1-2,5-10,15,21H,3-4,11-13H2,(H,22,24)
InChIKeyXTUAUHOPDPMMPF-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.83
Rot. Bonds4

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

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 119268823) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID119268823
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CCCNC1
InChIInChI=1S/C20H21N3OS/c24-20(15-4-3-11-21-13-15)22-16-9-7-14(8-10-16)12-19-23-17-5-1-2-6-18(17)25-19/h1-2,5-10,15,21H,3-4,11-13H2,(H,22,24)
InChIKeyXTUAUHOPDPMMPF-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119268822
N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748
(3R)-3-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-1,3-dicarboxamide
CID 34548047
(3S)-3-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-1,3-dicarboxamide
CID 34548052
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119684955
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]acetamide;hydrochloride
CID 119684950
(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 42117230
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
2-amino-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119684964
(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloropropanamide
CID 7063625
4-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074383

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide (CID 119268823) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)C1CCCNC1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is XTUAUHOPDPMMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-20(15-4-3-11-21-13-15)22-16-9-7-14(8-10-16)12-19-23-17-5-1-2-6-18(17)25-19/h1-2,5-10,15,21H,3-4,11-13H2,(H,22,24).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119268823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).