2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid

C20H28N2O5 — CID 119198435

IUPAC2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C20H28N2O5/c1-15(2)22(14-19(24)25)20(26)16-8-11-21(12-9-16)18(23)10-13-27-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,24,25)
InChIKeyDSPHREJNATVDSS-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.02
Rot. Bonds8

About 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid

2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 119198435) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID119198435
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C20H28N2O5/c1-15(2)22(14-19(24)25)20(26)16-8-11-21(12-9-16)18(23)10-13-27-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,24,25)
InChIKeyDSPHREJNATVDSS-UHFFFAOYSA-N
XLogP2.02
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
1-[1-(3-phenoxypropanoyl)piperidin-4-yl]-3-propan-2-ylurea
CID 110820909
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid (CID 119198435) is 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is DSPHREJNATVDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-15(2)22(14-19(24)25)20(26)16-8-11-21(12-9-16)18(23)10-13-27-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid?
2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 376.45 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).