N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide

C15H25N3OS — CID 119891870

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCc1nc(C)c(CNC(=O)CC(C)C2CCCNC2)s1
InChIInChI=1S/C15H25N3OS/c1-10(13-5-4-6-16-8-13)7-15(19)17-9-14-11(2)18-12(3)20-14/h10,13,16H,4-9H2,1-3H3,(H,17,19)
InChIKeySRFRAXBAUMIDIA-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.40
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119891870) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide
PubChem CID119891870
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide
SMILESCc1nc(C)c(CNC(=O)CC(C)C2CCCNC2)s1
InChIInChI=1S/C15H25N3OS/c1-10(13-5-4-6-16-8-13)7-15(19)17-9-14-11(2)18-12(3)20-14/h10,13,16H,4-9H2,1-3H3,(H,17,19)
InChIKeySRFRAXBAUMIDIA-UHFFFAOYSA-N
XLogP2.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119730060
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119816636
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide (CID 119891870) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide is Cc1nc(C)c(CNC(=O)CC(C)C2CCCNC2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is SRFRAXBAUMIDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(13-5-4-6-16-8-13)7-15(19)17-9-14-11(2)18-12(3)20-14/h10,13,16H,4-9H2,1-3H3,(H,17,19).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 295.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119891870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).