(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid

C16H22N2O4 — CID 131891318

IUPAC(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCOc1ccccc1C1CCN(C(=O)N[C@H](C)C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-11(15(19)20)17-16(21)18-9-7-12(8-10-18)13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20)/t11-/m1/s1
InChIKeyVNZWDXIPMNWSGX-LLVKDONJSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds4

About (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid

(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid (PubChem CID 131891318) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
PubChem CID131891318
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
SMILESCOc1ccccc1C1CCN(C(=O)N[C@H](C)C(=O)O)CC1
InChIInChI=1S/C16H22N2O4/c1-11(15(19)20)17-16(21)18-9-7-12(8-10-18)13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20)/t11-/m1/s1
InChIKeyVNZWDXIPMNWSGX-LLVKDONJSA-N
XLogP2.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 126441610
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
N-(3-ethylphenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 23763777
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
3-[4-(2-methoxyphenyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 56993017
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 121496789
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 5161698

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid (CID 131891318) is (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid is COc1ccccc1C1CCN(C(=O)N[C@H](C)C(=O)O)CC1.
What is the InChIKey of (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid?
The InChIKey is VNZWDXIPMNWSGX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(15(19)20)17-16(21)18-9-7-12(8-10-18)13-5-3-4-6-14(13)22-2/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid?
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid has a molecular weight of 306.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 131891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).