methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate

C19H28N2O3 — CID 99640872

IUPACmethyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(N[C@H]2CCO[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-19(22)14-21-10-7-16(8-11-21)20-17-9-12-24-18(13-17)15-5-3-2-4-6-15/h2-6,16-18,20H,7-14H2,1H3/t17-,18-/m0/s1
InChIKeyUOKUYKQTKPZLNQ-ROUUACIJSA-N
MW332.44 g/mol
LogP2.13
Rot. Bonds5

About methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate

methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate (PubChem CID 99640872) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate
PubChem CID99640872
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCC(N[C@H]2CCO[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C19H28N2O3/c1-23-19(22)14-21-10-7-16(8-11-21)20-17-9-12-24-18(13-17)15-5-3-2-4-6-15/h2-6,16-18,20H,7-14H2,1H3/t17-,18-/m0/s1
InChIKeyUOKUYKQTKPZLNQ-ROUUACIJSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(2-cyclopropyloxan-4-yl)amino]piperidin-1-yl]acetate
CID 91648649
methyl 2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 122641007
methyl 2-[4-(2-methoxyanilino)piperidin-1-yl]acetate
CID 71857529
1-[(2R,4S)-2-phenyloxan-4-yl]-3-(2-propan-2-yloxyethyl)urea
CID 99622073
5-[(2-phenyloxan-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 120699083
4-[[(2-phenyloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122010133
cis-(1R,3S)-2,2-dimethyl-3-[(2-phenyloxan-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122066668
1-(4-acetylphenyl)-3-(2-phenyloxan-4-yl)urea
CID 75523226
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
methyl 2-[(2S)-2-phenylthiomorpholin-4-yl]acetate
CID 95629932
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
1-[(2S,4R)-2-phenyloxan-4-yl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 129429595

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate (CID 99640872) is methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate is COC(=O)CN1CCC(N[C@H]2CCO[C@H](c3ccccc3)C2)CC1.
What is the InChIKey of methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate?
The InChIKey is UOKUYKQTKPZLNQ-ROUUACIJSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-19(22)14-21-10-7-16(8-11-21)20-17-9-12-24-18(13-17)15-5-3-2-4-6-15/h2-6,16-18,20H,7-14H2,1H3/t17-,18-/m0/s1.
What are the key properties of methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate?
methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate has a molecular weight of 332.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2S,4S)-2-phenyloxan-4-yl]amino]piperidin-1-yl]acetate is sourced from PubChem (CID 99640872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).