N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide

C14H23N3OS — CID 119891621

IUPACN-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC(CC(=O)N(C)Cc1nccs1)C1CCNCC1
InChIInChI=1S/C14H23N3OS/c1-11(12-3-5-15-6-4-12)9-14(18)17(2)10-13-16-7-8-19-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyFRJZMIKMNMSCKW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.13
Rot. Bonds5

About N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide

N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 119891621) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID119891621
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC(CC(=O)N(C)Cc1nccs1)C1CCNCC1
InChIInChI=1S/C14H23N3OS/c1-11(12-3-5-15-6-4-12)9-14(18)17(2)10-13-16-7-8-19-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyFRJZMIKMNMSCKW-UHFFFAOYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 119813020
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-4-ylmethyl)butanamide;dihydrochloride
CID 119864913
N-methyl-3-piperidin-4-yl-N-(pyrazin-2-ylmethyl)butanamide;dihydrochloride
CID 119867890
N-(furan-2-ylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119958310
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
3-piperidin-4-yl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 119863971
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119764793
N-ethyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119690004
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-(1-ethylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119841958
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119817568

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 119891621) is N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide is CC(CC(=O)N(C)Cc1nccs1)C1CCNCC1.
What is the InChIKey of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is FRJZMIKMNMSCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11(12-3-5-15-6-4-12)9-14(18)17(2)10-13-16-7-8-19-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide?
N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 281.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-piperidin-4-yl-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 119891621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).