1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone

C21H31N3O2 — CID 9102200

IUPAC1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1
InChIInChI=1S/C21H31N3O2/c1-16(25)24-11-7-17(8-12-24)22-19-15-21(9-13-23(2)14-10-21)26-20-6-4-3-5-18(19)20/h3-6,17,19,22H,7-15H2,1-2H3/t19-/m1/s1
InChIKeyVPXRLPXJQQVTMM-LJQANCHMSA-N
MW357.50 g/mol
LogP2.58
Rot. Bonds2

About 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone

1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone (PubChem CID 9102200) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
PubChem CID9102200
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1
InChIInChI=1S/C21H31N3O2/c1-16(25)24-11-7-17(8-12-24)22-19-15-21(9-13-23(2)14-10-21)26-20-6-4-3-5-18(19)20/h3-6,17,19,22H,7-15H2,1-2H3/t19-/m1/s1
InChIKeyVPXRLPXJQQVTMM-LJQANCHMSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone (CID 9102200) is 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N[C@@H]2CC3(CCN(C)CC3)Oc3ccccc32)CC1.
What is the InChIKey of 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is VPXRLPXJQQVTMM-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(25)24-11-7-17(8-12-24)22-19-15-21(9-13-23(2)14-10-21)26-20-6-4-3-5-18(19)20/h3-6,17,19,22H,7-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 9102200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).