(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone

C21H31N3O3S — CID 163316752

IUPAC(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
SMILESO=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H31N3O3S/c25-20(24-8-1-16(2-9-24)23-10-13-26-14-11-23)19-15-17-18(28-19)3-12-27-21(17)4-6-22-7-5-21/h15-16,22H,1-14H2
InChIKeyRFIBMNLJJLNIQN-UHFFFAOYSA-N
MW405.56 g/mol
LogP1.84
Rot. Bonds2

About (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone

(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone (PubChem CID 163316752) has the molecular formula C21H31N3O3S and a molecular weight of 405.56 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
PubChem CID163316752
Molecular FormulaC21H31N3O3S
Molecular Weight405.56 g/mol
Exact Mass405.21
IUPAC Name(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
SMILESO=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C21H31N3O3S/c25-20(24-8-1-16(2-9-24)23-10-13-26-14-11-23)19-15-17-18(28-19)3-12-27-21(17)4-6-22-7-5-21/h15-16,22H,1-14H2
InChIKeyRFIBMNLJJLNIQN-UHFFFAOYSA-N
XLogP1.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
CID 163311432
[1'-(cyclopentylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-yl]-morpholin-4-ylmethanone
CID 170504531
(2-phenylpyrrolidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone
CID 163308963
2-propyl-7-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641219
3-methyl-1-(2-methylpropyl)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonyl)piperazin-2-one
CID 163314518
1'-[(2S)-1-methylpyrrolidine-2-carbonyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxylic acid
CID 164694944
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162638620
(4-cyclopentylpiperazin-1-yl)-[2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]methanone
CID 53187893
N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 162635032
methyl (2S,4S)-4-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carbonylamino)pyrrolidine-2-carboxylate
CID 163319050
(4-cyclohexylpiperazin-1-yl)-[(5R)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]methanone
CID 95108792
1'-ethyl-N-[(4-hydroxyoxan-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-carboxamide
CID 170503696

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone (CID 163316752) is (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone is O=C(c1cc2c(s1)CCOC21CCNCC1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
The InChIKey is RFIBMNLJJLNIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3S/c25-20(24-8-1-16(2-9-24)23-10-13-26-14-11-23)19-15-17-18(28-19)3-12-27-21(17)4-6-22-7-5-21/h15-16,22H,1-14H2.
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone?
(4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone has a molecular weight of 405.56 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-2-ylmethanone is sourced from PubChem (CID 163316752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).