(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C10H18N2O2 — CID 107222967

IUPAC(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@H](O)C2)CCC1
InChIInChI=1S/C10H18N2O2/c11-10(4-2-5-10)9(14)12-6-1-3-8(13)7-12/h8,13H,1-7,11H2/t8-/m0/s1
InChIKeyOZXFXNBCSNAHRT-QMMMGPOBSA-N
MW198.27 g/mol
LogP-0.15
Rot. Bonds1

About (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107222967) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107222967
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@H](O)C2)CCC1
InChIInChI=1S/C10H18N2O2/c11-10(4-2-5-10)9(14)12-6-1-3-8(13)7-12/h8,13H,1-7,11H2/t8-/m0/s1
InChIKeyOZXFXNBCSNAHRT-QMMMGPOBSA-N
XLogP-0.15
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217407
(1-aminocyclobutyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81168310
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579
(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224848
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
N-[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119288778
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107222967) is (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is NC1(C(=O)N2CCC[C@H](O)C2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is OZXFXNBCSNAHRT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(4-2-5-10)9(14)12-6-1-3-8(13)7-12/h8,13H,1-7,11H2/t8-/m0/s1.
What are the key properties of (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 198.27 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107222967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).