[1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate

C16H21N3O4 — CID 175010264

IUPAC[1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate
SMILESNCC1(c2ccc(N3CC(O)CC(OC(N)=O)C3=O)cc2)CC1
InChIInChI=1S/C16H21N3O4/c17-9-16(5-6-16)10-1-3-11(4-2-10)19-8-12(20)7-13(14(19)21)23-15(18)22/h1-4,12-13,20H,5-9,17H2,(H2,18,22)
InChIKeyGXUZMXDAOHHGLN-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.24
Rot. Bonds4

About [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate

[1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate (PubChem CID 175010264) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate
PubChem CID175010264
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name[1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate
SMILESNCC1(c2ccc(N3CC(O)CC(OC(N)=O)C3=O)cc2)CC1
InChIInChI=1S/C16H21N3O4/c17-9-16(5-6-16)10-1-3-11(4-2-10)19-8-12(20)7-13(14(19)21)23-15(18)22/h1-4,12-13,20H,5-9,17H2,(H2,18,22)
InChIKeyGXUZMXDAOHHGLN-UHFFFAOYSA-N
XLogP0.24
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-3-[hydroxysulfinothioyl(sulfanyl)amino]-2-oxopyrrolidine
CID 142892017
[4-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanone
CID 84608781
4-[4-[1-(aminomethyl)cyclobutyl]phenyl]-1-methylpiperazine-2,6-dione
CID 117463814
[1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropyl]methyl N-tert-butyl-N-cyclopropylcarbamate
CID 123851267
[1-(4-pyrrolidin-1-ylphenyl)cyclohexyl]methanamine
CID 117400102
[(3S,5S)-1-(4-bromophenyl)-5-hydroxy-2-oxopiperidin-3-yl]carbamic acid
CID 137357063
6-[4-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020199
3-amino-5-hydroxy-1-(4-morpholin-4-ylphenyl)piperidin-2-one;hydrochloride
CID 153408830
[1-(4-phenylphenyl)cyclopropyl]methanamine
CID 82287223
[1-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]cyclobutyl]methanamine
CID 117113179
1-[[(5R)-3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid
CID 59120602
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate?
The IUPAC name of [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate (CID 175010264) is [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate.
What is the SMILES notation for [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate?
The canonical SMILES for [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate is NCC1(c2ccc(N3CC(O)CC(OC(N)=O)C3=O)cc2)CC1.
What is the InChIKey of [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate?
The InChIKey is GXUZMXDAOHHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c17-9-16(5-6-16)10-1-3-11(4-2-10)19-8-12(20)7-13(14(19)21)23-15(18)22/h1-4,12-13,20H,5-9,17H2,(H2,18,22).
What are the key properties of [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate?
[1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate has a molecular weight of 319.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(aminomethyl)cyclopropyl]phenyl]-5-hydroxy-2-oxopiperidin-3-yl] carbamate is sourced from PubChem (CID 175010264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).