2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid

C20H26N2O5 — CID 119195099

IUPAC2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H26N2O5/c23-18(10-13-27-17-4-2-1-3-5-17)21-11-8-15(9-12-21)20(26)22(14-19(24)25)16-6-7-16/h1-5,15-16H,6-14H2,(H,24,25)
InChIKeyCICIFBVJGKCQPK-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.77
Rot. Bonds8

About 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid

2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid (PubChem CID 119195099) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
PubChem CID119195099
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C1CC1
InChIInChI=1S/C20H26N2O5/c23-18(10-13-27-17-4-2-1-3-5-17)21-11-8-15(9-12-21)20(26)22(14-19(24)25)16-6-7-16/h1-5,15-16H,6-14H2,(H,24,25)
InChIKeyCICIFBVJGKCQPK-UHFFFAOYSA-N
XLogP1.77
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198435
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
1-(3-phenoxypropanoyl)piperidine-4-carbothioamide
CID 39400729
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55861746
3-phenoxy-1-[4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 56543111
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid (CID 119195099) is 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid is O=C(O)CN(C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid?
The InChIKey is CICIFBVJGKCQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18(10-13-27-17-4-2-1-3-5-17)21-11-8-15(9-12-21)20(26)22(14-19(24)25)16-6-7-16/h1-5,15-16H,6-14H2,(H,24,25).
What are the key properties of 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid?
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid has a molecular weight of 374.44 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119195099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).