N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

C19H33N5O2S — CID 84567118

IUPACN-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)NCCCCN(C)C)C2)sc1C
InChIInChI=1S/C19H33N5O2S/c1-14-15(2)27-19(21-14)22-17(25)13-24-11-7-8-16(12-24)18(26)20-9-5-6-10-23(3)4/h16H,5-13H2,1-4H3,(H,20,26)(H,21,22,25)
InChIKeyKYJZAJPWRIZZJQ-UHFFFAOYSA-N
MW395.57 g/mol
LogP1.87
Rot. Bonds9

About N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 84567118) has the molecular formula C19H33N5O2S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID84567118
Molecular FormulaC19H33N5O2S
Molecular Weight395.57 g/mol
Exact Mass395.24
IUPAC NameN-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)NCCCCN(C)C)C2)sc1C
InChIInChI=1S/C19H33N5O2S/c1-14-15(2)27-19(21-14)22-17(25)13-24-11-7-8-16(12-24)18(26)20-9-5-6-10-23(3)4/h16H,5-13H2,1-4H3,(H,20,26)(H,21,22,25)
InChIKeyKYJZAJPWRIZZJQ-UHFFFAOYSA-N
XLogP1.87
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 84567078
ethyl 2-[[1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 84562852
N-(3-chloro-4-methylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563684
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 84566465
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 84563681
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 84563668
N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563615
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 84563449
N-(2,3-dimethylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563614
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 84569046
N-(5-chloro-2-pyridinyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564177
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 84564183

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (CID 84567118) is N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)NCCCCN(C)C)C2)sc1C.
What is the InChIKey of N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is KYJZAJPWRIZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2S/c1-14-15(2)27-19(21-14)22-17(25)13-24-11-7-8-16(12-24)18(26)20-9-5-6-10-23(3)4/h16H,5-13H2,1-4H3,(H,20,26)(H,21,22,25).
What are the key properties of N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 395.57 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 84567118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).