4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride

C13H25ClN2O2S — CID 119756569

IUPAC4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC2CCSCC2)CCNCC1.Cl
InChIInChI=1S/C13H24N2O2S.ClH/c1-17-13(4-6-14-7-5-13)12(16)15-10-11-2-8-18-9-3-11;/h11,14H,2-10H2,1H3,(H,15,16);1H
InChIKeyHOHLIBPPRWBPMA-UHFFFAOYSA-N
MW308.88 g/mol
LogP1.44
Rot. Bonds4

About 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride

4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119756569) has the molecular formula C13H25ClN2O2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119756569
Molecular FormulaC13H25ClN2O2S
Molecular Weight308.88 g/mol
Exact Mass308.13
IUPAC Name4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC2CCSCC2)CCNCC1.Cl
InChIInChI=1S/C13H24N2O2S.ClH/c1-17-13(4-6-14-7-5-13)12(16)15-10-11-2-8-18-9-3-11;/h11,14H,2-10H2,1H3,(H,15,16);1H
InChIKeyHOHLIBPPRWBPMA-UHFFFAOYSA-N
XLogP1.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785421
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
CID 119853651
4-methoxy-N-[(2-methylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119750242
4-methoxy-N-[2-(oxan-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119724834
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169
N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
CID 119790891
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119762199
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
N-cyclohexyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670039
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
CID 119706107

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 119756569) is 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCC2CCSCC2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is HOHLIBPPRWBPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S.ClH/c1-17-13(4-6-14-7-5-13)12(16)15-10-11-2-8-18-9-3-11;/h11,14H,2-10H2,1H3,(H,15,16);1H.
What are the key properties of 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 308.88 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119756569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).