[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C19H26N2O — CID 3039575

IUPAC[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(C2Cc3ccccc3C2)C1)N1CCCC1
InChIInChI=1S/C19H26N2O/c22-19(20-9-3-4-10-20)17-8-5-11-21(14-17)18-12-15-6-1-2-7-16(15)13-18/h1-2,6-7,17-18H,3-5,8-14H2
InChIKeyPHHWRMAJRZYZMP-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.49
Rot. Bonds2

About [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 3039575) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID3039575
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(C2Cc3ccccc3C2)C1)N1CCCC1
InChIInChI=1S/C19H26N2O/c22-19(20-9-3-4-10-20)17-8-5-11-21(14-17)18-12-15-6-1-2-7-16(15)13-18/h1-2,6-7,17-18H,3-5,8-14H2
InChIKeyPHHWRMAJRZYZMP-UHFFFAOYSA-N
XLogP2.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 45244406
[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 97138323
1,4-diazepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone;dihydrochloride
CID 154896845
(3-aminoazetidin-1-yl)-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56876998
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 45252707
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
[(3S)-1-[1-(benzenesulfonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552892
[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 45178109
2,3-dihydro-1H-inden-2-yl-(3-hydroxypiperidin-1-yl)methanone
CID 112530917
[(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 1423531

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 3039575) is [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN(C2Cc3ccccc3C2)C1)N1CCCC1.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PHHWRMAJRZYZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(20-9-3-4-10-20)17-8-5-11-21(14-17)18-12-15-6-1-2-7-16(15)13-18/h1-2,6-7,17-18H,3-5,8-14H2.
What are the key properties of [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 298.43 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3039575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).