1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone

C20H29N3O2 — CID 97098382

IUPAC1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1
InChIInChI=1S/C20H29N3O2/c1-16(24)23-13-11-22(12-14-23)10-9-21-18-15-20(7-4-8-20)25-19-6-3-2-5-17(18)19/h2-3,5-6,18,21H,4,7-15H2,1H3/t18-/m1/s1
InChIKeyPZHXXJYVYJUUAF-GOSISDBHSA-N
MW343.47 g/mol
LogP2.19
Rot. Bonds4

About 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone (PubChem CID 97098382) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone
PubChem CID97098382
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1
InChIInChI=1S/C20H29N3O2/c1-16(24)23-13-11-22(12-14-23)10-9-21-18-15-20(7-4-8-20)25-19-6-3-2-5-17(18)19/h2-3,5-6,18,21H,4,7-15H2,1H3/t18-/m1/s1
InChIKeyPZHXXJYVYJUUAF-GOSISDBHSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one
CID 97230967
(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 97103915
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131
2-(4-methyl-1,4-diazepan-1-yl)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 125155552
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686
[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
CID 97080014
N-ethyl-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-amine
CID 114712286
N-methyl-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711983
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone (CID 97098382) is 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)CC1.
What is the InChIKey of 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
The InChIKey is PZHXXJYVYJUUAF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(24)23-13-11-22(12-14-23)10-9-21-18-15-20(7-4-8-20)25-19-6-3-2-5-17(18)19/h2-3,5-6,18,21H,4,7-15H2,1H3/t18-/m1/s1.
What are the key properties of 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone has a molecular weight of 343.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 97098382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).