N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

C17H30N4OS — CID 25481539

IUPACN-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1ncc(CN2CCC(CCC(=O)NCCN(C)C)CC2)s1
InChIInChI=1S/C17H30N4OS/c1-14-19-12-16(23-14)13-21-9-6-15(7-10-21)4-5-17(22)18-8-11-20(2)3/h12,15H,4-11,13H2,1-3H3,(H,18,22)
InChIKeyJZMJFKHWQLSILX-UHFFFAOYSA-N
MW338.52 g/mol
LogP2.12
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 25481539) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
PubChem CID25481539
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
SMILESCc1ncc(CN2CCC(CCC(=O)NCCN(C)C)CC2)s1
InChIInChI=1S/C17H30N4OS/c1-14-19-12-16(23-14)13-21-9-6-15(7-10-21)4-5-17(22)18-8-11-20(2)3/h12,15H,4-11,13H2,1-3H3,(H,18,22)
InChIKeyJZMJFKHWQLSILX-UHFFFAOYSA-N
XLogP2.12
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 71867675
1-[3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one
CID 75380796
2-(1,3-thiazol-5-ylmethyl)-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 134789159
1-[4-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]propan-1-one
CID 71927393
2-cyclopentyl-N-[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 75376784
N-[2-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]ethyl]cyclopentanecarboxamide
CID 75426819
2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
CID 84593551
(2S)-2-amino-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 91659790
(2S)-2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-2-carboxamide
CID 97826665
2-cyclohexyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 126771074
N-[1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 132287399
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-4-carboxamide
CID 136530533

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide (CID 25481539) is N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is Cc1ncc(CN2CCC(CCC(=O)NCCN(C)C)CC2)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is JZMJFKHWQLSILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-14-19-12-16(23-14)13-21-9-6-15(7-10-21)4-5-17(22)18-8-11-20(2)3/h12,15H,4-11,13H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 338.52 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 25481539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).