(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine

C20H30N2O3 — CID 99715384

IUPAC(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCC[C@@H](NC3CCC4(CC3)OCCO4)C2)c1
InChIInChI=1S/C20H30N2O3/c1-23-19-6-2-5-18(14-19)22-11-3-4-17(15-22)21-16-7-9-20(10-8-16)24-12-13-25-20/h2,5-6,14,16-17,21H,3-4,7-13,15H2,1H3/t17-/m1/s1
InChIKeyRGBHBWPWKZMSDZ-QGZVFWFLSA-N
MW346.47 g/mol
LogP2.94
Rot. Bonds4

About (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine

(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine (PubChem CID 99715384) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine
PubChem CID99715384
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine
SMILESCOc1cccc(N2CCC[C@@H](NC3CCC4(CC3)OCCO4)C2)c1
InChIInChI=1S/C20H30N2O3/c1-23-19-6-2-5-18(14-19)22-11-3-4-17(15-22)21-16-7-9-20(10-8-16)24-12-13-25-20/h2,5-6,14,16-17,21H,3-4,7-13,15H2,1H3/t17-/m1/s1
InChIKeyRGBHBWPWKZMSDZ-QGZVFWFLSA-N
XLogP2.94
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(2-methoxyphenyl)piperidin-3-amine
CID 102561502
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-(oxan-4-yl)acetamide
CID 120800414
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
N-cyclobutyl-4-(3-methoxyphenyl)morpholine-2-carboxamide
CID 110254136
1-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109395285
1-[(1-acetylpiperidin-4-yl)methyl]-3-[1-(3-methoxyphenyl)piperidin-3-yl]urea
CID 136526374
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine?
The IUPAC name of (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine (CID 99715384) is (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine?
The canonical SMILES for (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine is COc1cccc(N2CCC[C@@H](NC3CCC4(CC3)OCCO4)C2)c1.
What is the InChIKey of (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine?
The InChIKey is RGBHBWPWKZMSDZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-23-19-6-2-5-18(14-19)22-11-3-4-17(15-22)21-16-7-9-20(10-8-16)24-12-13-25-20/h2,5-6,14,16-17,21H,3-4,7-13,15H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine?
(3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine has a molecular weight of 346.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(3-methoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 99715384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).