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

C22H32FN3O — CID 95463816

IUPAC(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCCF)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C22H32FN3O/c23-9-10-24-22(27)19-6-3-11-26(16-19)20-7-12-25(13-8-20)21-14-17-4-1-2-5-18(17)15-21/h1-2,4-5,19-21H,3,6-16H2,(H,24,27)/t19-/m0/s1
InChIKeyOGAVQRXRHULCSQ-IBGZPJMESA-N
MW373.52 g/mol
LogP2.42
Rot. Bonds5

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

(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide (PubChem CID 95463816) has the molecular formula C22H32FN3O and a molecular weight of 373.52 g/mol. Its IUPAC name is (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide
PubChem CID95463816
Molecular FormulaC22H32FN3O
Molecular Weight373.52 g/mol
Exact Mass373.25
IUPAC Name(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCCF)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1
InChIInChI=1S/C22H32FN3O/c23-9-10-24-22(27)19-6-3-11-26(16-19)20-7-12-25(13-8-20)21-14-17-4-1-2-5-18(17)15-21/h1-2,4-5,19-21H,3,6-16H2,(H,24,27)/t19-/m0/s1
InChIKeyOGAVQRXRHULCSQ-IBGZPJMESA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)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-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
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 97151159
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
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
(3R)-1-[1-(3-fluoropropyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95560778
(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-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3039575
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide (CID 95463816) is (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide is O=C(NCCF)[C@H]1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1.
What is the InChIKey of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide?
The InChIKey is OGAVQRXRHULCSQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H32FN3O/c23-9-10-24-22(27)19-6-3-11-26(16-19)20-7-12-25(13-8-20)21-14-17-4-1-2-5-18(17)15-21/h1-2,4-5,19-21H,3,6-16H2,(H,24,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide?
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-fluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95463816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).