1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine

C22H27N3O — CID 97230108

IUPAC1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
SMILESc1ccc(N2CCC(N[C@@H]3CC4(CCC4)Oc4ccccc43)CC2)nc1
InChIInChI=1S/C22H27N3O/c1-2-7-20-18(6-1)19(16-22(26-20)11-5-12-22)24-17-9-14-25(15-10-17)21-8-3-4-13-23-21/h1-4,6-8,13,17,19,24H,5,9-12,14-16H2/t19-/m1/s1
InChIKeyGJSNSKXDTNLZLY-LJQANCHMSA-N
MW349.48 g/mol
LogP4.09
Rot. Bonds3

About 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine

1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine (PubChem CID 97230108) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
PubChem CID97230108
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine
SMILESc1ccc(N2CCC(N[C@@H]3CC4(CCC4)Oc4ccccc43)CC2)nc1
InChIInChI=1S/C22H27N3O/c1-2-7-20-18(6-1)19(16-22(26-20)11-5-12-22)24-17-9-14-25(15-10-17)21-8-3-4-13-23-21/h1-4,6-8,13,17,19,24H,5,9-12,14-16H2/t19-/m1/s1
InChIKeyGJSNSKXDTNLZLY-LJQANCHMSA-N
XLogP4.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxepan-4-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65082180
1-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]-3-[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 66746492
1-[4-[[(4R)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]amino]piperidin-1-yl]ethanone
CID 9102200
N-[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-pyridin-2-ylpiperidin-4-amine
CID 97108190
1-[4-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]ethanone
CID 131652686
N-(4-ethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675378
N-(2,3-dimethylcyclohexyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43765340
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
(4S)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 97229921
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585
(4R)-N-pyridin-3-yl-1'-pyrimidin-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 97400983
1'-ethyl-N-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 134075744

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine?
The IUPAC name of 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine (CID 97230108) is 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine?
The canonical SMILES for 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine is c1ccc(N2CCC(N[C@@H]3CC4(CCC4)Oc4ccccc43)CC2)nc1.
What is the InChIKey of 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine?
The InChIKey is GJSNSKXDTNLZLY-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N3O/c1-2-7-20-18(6-1)19(16-22(26-20)11-5-12-22)24-17-9-14-25(15-10-17)21-8-3-4-13-23-21/h1-4,6-8,13,17,19,24H,5,9-12,14-16H2/t19-/m1/s1.
What are the key properties of 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine?
1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]piperidin-4-amine is sourced from PubChem (CID 97230108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).