1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone

C19H28N2O2 — CID 166854328

IUPAC1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-14(22)21-11-5-8-18(20)19(21)13-23-17-10-9-16(12-17)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-13,20H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKeySRDJZMRXWQUXDR-BTRQGYIVSA-N
MW316.44 g/mol
LogP2.68
Rot. Bonds4

About 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone

1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone (PubChem CID 166854328) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone
PubChem CID166854328
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(c2ccccc2)C1
InChIInChI=1S/C19H28N2O2/c1-14(22)21-11-5-8-18(20)19(21)13-23-17-10-9-16(12-17)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-13,20H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKeySRDJZMRXWQUXDR-BTRQGYIVSA-N
XLogP2.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]propane-1,2-dione
CID 166854291
(2S)-1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 166854386
1-[(2R,3S)-3-amino-2-[[4-(2,6-dimethylphenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854217
1-[(2R,3S)-3-amino-2-[[4-[3-(fluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854083
1-[(2R,3S)-3-amino-2-[[4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166990634
1-[3-amino-2-[[4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166990388
N-[(2S,3R)-1-acetyl-2-[(3-phenylcyclobutyl)oxymethyl]piperidin-3-yl]methanesulfonamide
CID 137440626
(2R)-1-acetyl-3-(dimethylsulfamoylamino)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine
CID 130336178
1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854235
butyl 3-amino-2-[[4-(3-hydroxyphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate;ethane
CID 163370217
(2R,3S)-3-amino-N-ethyl-2-[[4-[3-(fluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidine-1-carboxamide
CID 166990421
(2R,3S)-3-(methanesulfonamido)-2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylic acid
CID 146472089

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone (CID 166854328) is 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](N)[C@@H]1COC1CCC(c2ccccc2)C1.
What is the InChIKey of 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone?
The InChIKey is SRDJZMRXWQUXDR-BTRQGYIVSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(22)21-11-5-8-18(20)19(21)13-23-17-10-9-16(12-17)15-6-3-2-4-7-15/h2-4,6-7,16-19H,5,8-13,20H2,1H3/t16?,17?,18-,19-/m0/s1.
What are the key properties of 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone?
1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone has a molecular weight of 316.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166854328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).