N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide

C15H21N3OS — CID 86853844

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)N(C)Cc2csc(C)n2)CC1
InChIInChI=1S/C15H21N3OS/c1-4-7-18-8-5-13(6-9-18)15(19)17(3)10-14-11-20-12(2)16-14/h1,11,13H,5-10H2,2-3H3
InChIKeyVULROBIBHSPJSI-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.76
Rot. Bonds4

About N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 86853844) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID86853844
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)N(C)Cc2csc(C)n2)CC1
InChIInChI=1S/C15H21N3OS/c1-4-7-18-8-5-13(6-9-18)15(19)17(3)10-14-11-20-12(2)16-14/h1,11,13H,5-10H2,2-3H3
InChIKeyVULROBIBHSPJSI-UHFFFAOYSA-N
XLogP1.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86853856
1-(2-cyano-4-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 167910016
N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 56538529
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56515554
N-(3-amino-4-methylpentyl)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 119658510
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55488781
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56582546
(3S,4S)-N,4-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 98540715
1-benzyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 86855477
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841605
4-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolane-3-carboxamide
CID 66235264

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide (CID 86853844) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)N(C)Cc2csc(C)n2)CC1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is VULROBIBHSPJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-7-18-8-5-13(6-9-18)15(19)17(3)10-14-11-20-12(2)16-14/h1,11,13H,5-10H2,2-3H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 86853844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).