2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone

C17H25N3O2 — CID 166301910

IUPAC2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone
SMILESNCC1CC(CC(=O)N2CCC(OCc3ccncc3)C2)C1
InChIInChI=1S/C17H25N3O2/c18-10-15-7-14(8-15)9-17(21)20-6-3-16(11-20)22-12-13-1-4-19-5-2-13/h1-2,4-5,14-16H,3,6-12,18H2
InChIKeyKZQVQCHFQKLYON-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.57
Rot. Bonds6

About 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone

2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone (PubChem CID 166301910) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone
PubChem CID166301910
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone
SMILESNCC1CC(CC(=O)N2CCC(OCc3ccncc3)C2)C1
InChIInChI=1S/C17H25N3O2/c18-10-15-7-14(8-15)9-17(21)20-6-3-16(11-20)22-12-13-1-4-19-5-2-13/h1-2,4-5,14-16H,3,6-12,18H2
InChIKeyKZQVQCHFQKLYON-UHFFFAOYSA-N
XLogP1.57
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120990016
(2R)-6-chloro-2-[2-oxo-2-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
CID 99808424
6-chloro-2-[2-oxo-2-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
CID 102557325
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129452854
ethane;1-[3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]propan-1-one
CID 166100781
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]methanone
CID 99816784
(2S)-2-(2,4-dichlorophenoxy)-1-[(3S)-3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 99808429
2-(2,4-dichlorophenoxy)-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]propan-1-one
CID 86813082
4-methyl-1-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692918
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131641585

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone (CID 166301910) is 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone is NCC1CC(CC(=O)N2CCC(OCc3ccncc3)C2)C1.
What is the InChIKey of 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone?
The InChIKey is KZQVQCHFQKLYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c18-10-15-7-14(8-15)9-17(21)20-6-3-16(11-20)22-12-13-1-4-19-5-2-13/h1-2,4-5,14-16H,3,6-12,18H2.
What are the key properties of 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone?
2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)cyclobutyl]-1-[3-(pyridin-4-ylmethoxy)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 166301910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).