1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride

C21H32ClN3O3S — CID 154922676

IUPAC1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cc2c(s1)C1(CCN(C(=O)[C@H]3CCCCN3)CC1)OCC2.Cl
InChIInChI=1S/C21H31N3O3S.ClH/c1-2-9-23-19(25)17-14-15-6-13-27-21(18(15)28-17)7-11-24(12-8-21)20(26)16-5-3-4-10-22-16;/h14,16,22H,2-13H2,1H3,(H,23,25);1H/t16-;/m1./s1
InChIKeyNHRFRAAPWDXJQA-PKLMIRHRSA-N
MW442.03 g/mol
LogP2.84
Rot. Bonds4

About 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride

1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride (PubChem CID 154922676) has the molecular formula C21H32ClN3O3S and a molecular weight of 442.03 g/mol. Its IUPAC name is 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride
PubChem CID154922676
Molecular FormulaC21H32ClN3O3S
Molecular Weight442.03 g/mol
Exact Mass441.19
IUPAC Name1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cc2c(s1)C1(CCN(C(=O)[C@H]3CCCCN3)CC1)OCC2.Cl
InChIInChI=1S/C21H31N3O3S.ClH/c1-2-9-23-19(25)17-14-15-6-13-27-21(18(15)28-17)7-11-24(12-8-21)20(26)16-5-3-4-10-22-16;/h14,16,22H,2-13H2,1H3,(H,23,25);1H/t16-;/m1./s1
InChIKeyNHRFRAAPWDXJQA-PKLMIRHRSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.03
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1,4-dioxan-2-ylmethyl)-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506139
N-(2-morpholin-4-ylethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162634817
N-[2-(2-oxoimidazolidin-1-yl)ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 162633332
N-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 163306765
1'-(2-amino-2-oxoethyl)-N-(oxan-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 170506403
N-(cyclopropylmethyl)-1'-(6-methylpyridazin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169418054
[(2S)-piperidin-2-yl]-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone;hydrochloride
CID 154918485
(4,4-dimethylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119316184
formic acid;methyl 2-[[1'-(2,3-dihydroxypropyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbonyl]amino]acetate
CID 171712703
N-[(4-ethylsulfonylphenyl)methyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 135318412
(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone
CID 176504592
N-cyclopropyl-1'-(4,5-dimethyl-1,3-thiazol-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide
CID 169416129

Frequently Asked Questions

What is the IUPAC name of 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride?
The IUPAC name of 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride (CID 154922676) is 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride.
What is the SMILES notation for 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride?
The canonical SMILES for 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride is CCCNC(=O)c1cc2c(s1)C1(CCN(C(=O)[C@H]3CCCCN3)CC1)OCC2.Cl.
What is the InChIKey of 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride?
The InChIKey is NHRFRAAPWDXJQA-PKLMIRHRSA-N. The full InChI is InChI=1S/C21H31N3O3S.ClH/c1-2-9-23-19(25)17-14-15-6-13-27-21(18(15)28-17)7-11-24(12-8-21)20(26)16-5-3-4-10-22-16;/h14,16,22H,2-13H2,1H3,(H,23,25);1H/t16-;/m1./s1.
What are the key properties of 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride?
1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride has a molecular weight of 442.03 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2R)-piperidine-2-carbonyl]-N-propylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxamide;hydrochloride is sourced from PubChem (CID 154922676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).