N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide

C14H21N3OS — CID 166600630

IUPACN-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(Cc2cncs2)C1
InChIInChI=1S/C14H21N3OS/c1-16(14(18)11-4-5-11)12-3-2-6-17(8-12)9-13-7-15-10-19-13/h7,10-12H,2-6,8-9H2,1H3
InChIKeyLSDISCFPXPTQAS-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.98
Rot. Bonds4

About N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide

N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 166600630) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID166600630
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(Cc2cncs2)C1
InChIInChI=1S/C14H21N3OS/c1-16(14(18)11-4-5-11)12-3-2-6-17(8-12)9-13-7-15-10-19-13/h7,10-12H,2-6,8-9H2,1H3
InChIKeyLSDISCFPXPTQAS-UHFFFAOYSA-N
XLogP1.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(1,3-oxazol-4-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 172880855
N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166602686
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603468
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate
CID 129399501
1-(1,3-thiazol-5-ylmethyl)piperidine-3-carboximidamide
CID 112640779
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163348150
N-methyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]cyclopropanecarboxamide
CID 166606164
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644358
N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 171700798
1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 141277856

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide (CID 166600630) is N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCCN(Cc2cncs2)C1.
What is the InChIKey of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is LSDISCFPXPTQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-16(14(18)11-4-5-11)12-3-2-6-17(8-12)9-13-7-15-10-19-13/h7,10-12H,2-6,8-9H2,1H3.
What are the key properties of N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 279.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166600630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).