4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide

C20H23N5OS — CID 122561037

IUPAC4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(c2nsc3ccccc23)CC1)c1cccnc1
InChIInChI=1S/C20H23N5OS/c1-2-17(15-6-5-9-21-14-15)22-20(26)25-12-10-24(11-13-25)19-16-7-3-4-8-18(16)27-23-19/h3-9,14,17H,2,10-13H2,1H3,(H,22,26)
InChIKeyVRUBXHHOYUWNTA-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.67
Rot. Bonds4

About 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide

4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide (PubChem CID 122561037) has the molecular formula C20H23N5OS and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide
PubChem CID122561037
Molecular FormulaC20H23N5OS
Molecular Weight381.50 g/mol
Exact Mass381.16
IUPAC Name4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(c2nsc3ccccc23)CC1)c1cccnc1
InChIInChI=1S/C20H23N5OS/c1-2-17(15-6-5-9-21-14-15)22-20(26)25-12-10-24(11-13-25)19-16-7-3-4-8-18(16)27-23-19/h3-9,14,17H,2,10-13H2,1H3,(H,22,26)
InChIKeyVRUBXHHOYUWNTA-UHFFFAOYSA-N
XLogP3.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 16764503
4-(2-pyrazol-1-ylethyl)-N-(1-pyridin-3-ylpropyl)piperidine-1-carboxamide
CID 122565648
4-(pyridin-3-ylmethyl)-N-[(1R)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124505398
4-(1,2-benzothiazol-3-yl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 17171328
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 46970094
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 118775576
4-(1,2-benzothiazol-3-yl)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]piperazine-1-carboxamide
CID 155969386
(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 51583727
6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 135101927
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]pyrimidine-5-carboxylic acid
CID 72865234
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide (CID 122561037) is 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide is CCC(NC(=O)N1CCN(c2nsc3ccccc23)CC1)c1cccnc1.
What is the InChIKey of 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide?
The InChIKey is VRUBXHHOYUWNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-2-17(15-6-5-9-21-14-15)22-20(26)25-12-10-24(11-13-25)19-16-7-3-4-8-18(16)27-23-19/h3-9,14,17H,2,10-13H2,1H3,(H,22,26).
What are the key properties of 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide?
4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazol-3-yl)-N-(1-pyridin-3-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 122561037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).