N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

C15H26N4OS — CID 63754604

IUPACN-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCc1nc(C(C)N2CCCC(C(=O)NCCN)C2)c(C)s1
InChIInChI=1S/C15H26N4OS/c1-10(14-11(2)21-12(3)18-14)19-8-4-5-13(9-19)15(20)17-7-6-16/h10,13H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyZSXYKKDRIKHRLU-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.61
Rot. Bonds5

About N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 63754604) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID63754604
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCc1nc(C(C)N2CCCC(C(=O)NCCN)C2)c(C)s1
InChIInChI=1S/C15H26N4OS/c1-10(14-11(2)21-12(3)18-14)19-8-4-5-13(9-19)15(20)17-7-6-16/h10,13H,4-9,16H2,1-3H3,(H,17,20)
InChIKeyZSXYKKDRIKHRLU-UHFFFAOYSA-N
XLogP1.61
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916645
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide
CID 63252237
N-(2-aminoethyl)-1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97272581
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
N-(2-aminoethyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidine-3-carboxamide
CID 120837331
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
3-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]propanoic acid
CID 65062393

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (CID 63754604) is N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is Cc1nc(C(C)N2CCCC(C(=O)NCCN)C2)c(C)s1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is ZSXYKKDRIKHRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(14-11(2)21-12(3)18-14)19-8-4-5-13(9-19)15(20)17-7-6-16/h10,13H,4-9,16H2,1-3H3,(H,17,20).
What are the key properties of N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63754604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).