[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone

C21H30N2O2 — CID 128879223

IUPAC[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc(C2(C(=O)N3CCC(C4CC(N)CCO4)CC3)CC2)c1
InChIInChI=1S/C21H30N2O2/c1-15-3-2-4-17(13-15)21(8-9-21)20(24)23-10-5-16(6-11-23)19-14-18(22)7-12-25-19/h2-4,13,16,18-19H,5-12,14,22H2,1H3
InChIKeyVQQMKSHZVQDUJT-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.77
Rot. Bonds3

About [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone

[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone (PubChem CID 128879223) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
PubChem CID128879223
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone
SMILESCc1cccc(C2(C(=O)N3CCC(C4CC(N)CCO4)CC3)CC2)c1
InChIInChI=1S/C21H30N2O2/c1-15-3-2-4-17(13-15)21(8-9-21)20(24)23-10-5-16(6-11-23)19-14-18(22)7-12-25-19/h2-4,13,16,18-19H,5-12,14,22H2,1H3
InChIKeyVQQMKSHZVQDUJT-UHFFFAOYSA-N
XLogP2.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119376299
2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]oxan-4-amine
CID 128847076
[1-(3-methylphenyl)cyclopropyl]-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 99804836
1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
CID 154736148
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
1-[4-(4-aminooxan-2-yl)piperidin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 128879342
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
(3-hydroxyazetidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 63107346
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 124946519
[4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 155984435
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone (CID 128879223) is [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone is Cc1cccc(C2(C(=O)N3CCC(C4CC(N)CCO4)CC3)CC2)c1.
What is the InChIKey of [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
The InChIKey is VQQMKSHZVQDUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-15-3-2-4-17(13-15)21(8-9-21)20(24)23-10-5-16(6-11-23)19-14-18(22)7-12-25-19/h2-4,13,16,18-19H,5-12,14,22H2,1H3.
What are the key properties of [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone?
[4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone has a molecular weight of 342.48 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminooxan-2-yl)piperidin-1-yl]-[1-(3-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 128879223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).