4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride

C17H33Cl2N3O2S — CID 119856169

IUPAC4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H31N3O2S.2ClH/c1-22-17(6-8-18-9-7-17)15(21)19-14-16(4-2-3-5-16)20-10-12-23-13-11-20;;/h18H,2-14H2,1H3,(H,19,21);2*1H
InChIKeyFFHBNLUJVBYCSY-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.08
Rot. Bonds5

About 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride

4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119856169) has the molecular formula C17H33Cl2N3O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119856169
Molecular FormulaC17H33Cl2N3O2S
Molecular Weight414.44 g/mol
Exact Mass413.17
IUPAC Name4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H31N3O2S.2ClH/c1-22-17(6-8-18-9-7-17)15(21)19-14-16(4-2-3-5-16)20-10-12-23-13-11-20;;/h18H,2-14H2,1H3,(H,19,21);2*1H
InChIKeyFFHBNLUJVBYCSY-UHFFFAOYSA-N
XLogP2.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
CID 119853651
4-methoxy-N-(thian-4-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119756569
(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 99807217
4-methoxy-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119812130
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119887041
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119812194
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761918
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941831
1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 71985715

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride (CID 119856169) is 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride is COC1(C(=O)NCC2(N3CCSCC3)CCCC2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is FFHBNLUJVBYCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2S.2ClH/c1-22-17(6-8-18-9-7-17)15(21)19-14-16(4-2-3-5-16)20-10-12-23-13-11-20;;/h18H,2-14H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride?
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 414.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119856169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).