[3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone

C19H21N3O2 — CID 75436629

IUPAC[3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone
SMILESO=C(c1cc2occc2[nH]1)N1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c23-19(17-11-18-16(21-17)8-10-24-18)22-9-4-7-15(13-22)20-12-14-5-2-1-3-6-14/h1-3,5-6,8,10-11,15,20-21H,4,7,9,12-13H2
InChIKeyXKYXYMIJBKSXAQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.16
Rot. Bonds4

About [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone

[3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone (PubChem CID 75436629) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone
PubChem CID75436629
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone
SMILESO=C(c1cc2occc2[nH]1)N1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c23-19(17-11-18-16(21-17)8-10-24-18)22-9-4-7-15(13-22)20-12-14-5-2-1-3-6-14/h1-3,5-6,8,10-11,15,20-21H,4,7,9,12-13H2
InChIKeyXKYXYMIJBKSXAQ-UHFFFAOYSA-N
XLogP3.16
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
4H-furo[3,2-b]pyrrol-5-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 71801478
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
[3-(benzylamino)pyrrolidin-1-yl]-(3,5-dinitrophenyl)methanone
CID 75082011
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
CID 68661601
1-[1-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 138996131
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-[1-(furan-2-carbonyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131927041
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581

Frequently Asked Questions

What is the IUPAC name of [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone (CID 75436629) is [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone is O=C(c1cc2occc2[nH]1)N1CCCC(NCc2ccccc2)C1.
What is the InChIKey of [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is XKYXYMIJBKSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(17-11-18-16(21-17)8-10-24-18)22-9-4-7-15(13-22)20-12-14-5-2-1-3-6-14/h1-3,5-6,8,10-11,15,20-21H,4,7,9,12-13H2.
What are the key properties of [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone?
[3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 323.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 75436629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).