(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone

C18H26N2O — CID 95556760

IUPAC(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)CCC1
InChIInChI=1S/C18H26N2O/c19-18(11-5-12-18)17(21)20-13-4-8-16(14-20)10-9-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,19H2/t16-/m0/s1
InChIKeyXZMFRDFUVZCKGF-INIZCTEOSA-N
MW286.42 g/mol
LogP2.74
Rot. Bonds4

About (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone

(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 95556760) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID95556760
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)CCC1
InChIInChI=1S/C18H26N2O/c19-18(11-5-12-18)17(21)20-13-4-8-16(14-20)10-9-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,19H2/t16-/m0/s1
InChIKeyXZMFRDFUVZCKGF-INIZCTEOSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-[(3S)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95552859
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethanone
CID 95463526
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459961
methyl 5-oxo-5-[(3S)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459965
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
3-[2-oxo-2-[3-(2-phenylethyl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 45215381
1-[3-(2-chloroethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63396050
[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 50978916

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone (CID 95556760) is (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone is NC1(C(=O)N2CCC[C@@H](CCc3ccccc3)C2)CCC1.
What is the InChIKey of (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is XZMFRDFUVZCKGF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O/c19-18(11-5-12-18)17(21)20-13-4-8-16(14-20)10-9-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,19H2/t16-/m0/s1.
What are the key properties of (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95556760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).