(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one

C20H32N2O2 — CID 155955397

IUPAC(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
SMILESCC(C)CCOC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O2/c1-16(2)12-15-24-18-10-13-22(14-11-18)20(23)19(21)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15,21H2,1-2H3/t19-/m0/s1
InChIKeyUSBLIWVDKXAFLM-IBGZPJMESA-N
MW332.49 g/mol
LogP3.00
Rot. Bonds8

About (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one

(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 155955397) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
PubChem CID155955397
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one
SMILESCC(C)CCOC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O2/c1-16(2)12-15-24-18-10-13-22(14-11-18)20(23)19(21)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15,21H2,1-2H3/t19-/m0/s1
InChIKeyUSBLIWVDKXAFLM-IBGZPJMESA-N
XLogP3.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-4-phenylbutan-1-one
CID 104983889
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
2-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 114928192
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754
(2R)-2-benzylsulfanyl-1-[(3R)-3-(3-methylbutoxy)pyrrolidin-1-yl]propan-1-one
CID 95974649
(2S)-2-benzylsulfanyl-1-[(3R)-3-(3-methylbutoxy)pyrrolidin-1-yl]propan-1-one
CID 95974651
(2S)-2-amino-3-methyl-1-[4-(3-methylbutoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119296128
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
(2R)-2-amino-1-[(3R)-3-(2-methylpropoxy)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 124681786
(2S)-2-amino-1-(3-ethylpiperidin-1-yl)-4-phenylbutan-1-one
CID 104983954
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one (CID 155955397) is (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one is CC(C)CCOC1CCN(C(=O)[C@@H](N)CCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is USBLIWVDKXAFLM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16(2)12-15-24-18-10-13-22(14-11-18)20(23)19(21)9-8-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15,21H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one?
(2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 332.49 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(3-methylbutoxy)piperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 155955397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).