(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide

C25H37N3O2 — CID 97151159

IUPAC(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C25H37N3O2/c29-25(26-22-9-14-30-15-10-22)21-6-3-11-28(18-21)23-7-12-27(13-8-23)24-16-19-4-1-2-5-20(19)17-24/h1-2,4-5,21-24H,3,6-18H2,(H,26,29)/t21-/m1/s1
InChIKeyXSVIMFFTUFXJNI-OAQYLSRUSA-N
MW411.59 g/mol
LogP2.63
Rot. Bonds4

About (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide

(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 97151159) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID97151159
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC Name(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C25H37N3O2/c29-25(26-22-9-14-30-15-10-22)21-6-3-11-28(18-21)23-7-12-27(13-8-23)24-16-19-4-1-2-5-20(19)17-24/h1-2,4-5,21-24H,3,6-18H2,(H,26,29)/t21-/m1/s1
InChIKeyXSVIMFFTUFXJNI-OAQYLSRUSA-N
XLogP2.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide
CID 95463816
azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 45252707
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[3-(methylamino)propyl]piperidine-3-carboxamide;dihydrochloride
CID 154895838
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56876998
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 26324983
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide (CID 97151159) is (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide is O=C(NC1CCOCC1)[C@@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is XSVIMFFTUFXJNI-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H37N3O2/c29-25(26-22-9-14-30-15-10-22)21-6-3-11-28(18-21)23-7-12-27(13-8-23)24-16-19-4-1-2-5-20(19)17-24/h1-2,4-5,21-24H,3,6-18H2,(H,26,29)/t21-/m1/s1.
What are the key properties of (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide?
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 411.59 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97151159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).