2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid

C15H20N2O3 — CID 79606723

IUPAC2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid
SMILESNC(=O)c1ccccc1CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H20N2O3/c16-15(20)13-4-2-1-3-12(13)10-17-7-5-11(6-8-17)9-14(18)19/h1-4,11H,5-10H2,(H2,16,20)(H,18,19)
InChIKeyVNZXRLGJQQEWEB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid

2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79606723) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID79606723
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid
SMILESNC(=O)c1ccccc1CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H20N2O3/c16-15(20)13-4-2-1-3-12(13)10-17-7-5-11(6-8-17)9-14(18)19/h1-4,11H,5-10H2,(H2,16,20)(H,18,19)
InChIKeyVNZXRLGJQQEWEB-UHFFFAOYSA-N
XLogP1.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79983220
3-[4-[(2-carbamoylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43522420
2-[1-(2-carbamoylphenyl)piperidin-4-yl]acetic acid
CID 79608319
2-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]acetic acid
CID 79608348
methyl 2-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]benzoate
CID 82957081
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
2-[[4-(3-aminopropoxy)piperidin-1-yl]methyl]benzamide
CID 79735005
1-[(2-carbamoylphenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126554
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
methyl 2-[(4-aminopiperidin-1-yl)methyl]benzoate;dihydrochloride
CID 53256226

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid (CID 79606723) is 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid is NC(=O)c1ccccc1CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is VNZXRLGJQQEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-15(20)13-4-2-1-3-12(13)10-17-7-5-11(6-8-17)9-14(18)19/h1-4,11H,5-10H2,(H2,16,20)(H,18,19).
What are the key properties of 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).