4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

C17H23N5OS — CID 96549824

IUPAC4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1nccs1
InChIInChI=1S/C17H23N5OS/c1-13(16-19-6-11-24-16)20-17(23)22-9-7-21(8-10-22)14(2)15-4-3-5-18-12-15/h3-6,11-14H,7-10H2,1-2H3,(H,20,23)/t13-,14+/m0/s1
InChIKeyOANBVZSPDRYNGJ-UONOGXRCSA-N
MW345.47 g/mol
LogP2.69
Rot. Bonds4

About 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 96549824) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID96549824
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1nccs1
InChIInChI=1S/C17H23N5OS/c1-13(16-19-6-11-24-16)20-17(23)22-9-7-21(8-10-22)14(2)15-4-3-5-18-12-15/h3-6,11-14H,7-10H2,1-2H3,(H,20,23)/t13-,14+/m0/s1
InChIKeyOANBVZSPDRYNGJ-UONOGXRCSA-N
XLogP2.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953597
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 96549815
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953620
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
N-(4,6-dimethyl-2-pyridinyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86793381
1-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 96549454
(4-methyl-1,3-thiazol-5-yl)-[4-[(1R)-1-pyridin-3-ylethyl]-1,4-diazepan-1-yl]methanone
CID 95582279
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
(4-chloro-2-pyridinyl)-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]methanone
CID 95628023

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide (CID 96549824) is 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide is C[C@H](NC(=O)N1CCN([C@H](C)c2cccnc2)CC1)c1nccs1.
What is the InChIKey of 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is OANBVZSPDRYNGJ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-13(16-19-6-11-24-16)20-17(23)22-9-7-21(8-10-22)14(2)15-4-3-5-18-12-15/h3-6,11-14H,7-10H2,1-2H3,(H,20,23)/t13-,14+/m0/s1.
What are the key properties of 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 96549824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).