2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid

C19H24N2O4 — CID 119196915

IUPAC2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C19H24N2O4/c22-17(23)13-21(11-14-5-2-1-3-6-14)19(25)16-7-4-10-20(12-16)18(24)15-8-9-15/h1-3,5-6,15-16H,4,7-13H2,(H,22,23)
InChIKeyDUMPVHGAIQPVKG-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.75
Rot. Bonds6

About 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid

2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid (PubChem CID 119196915) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
PubChem CID119196915
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C19H24N2O4/c22-17(23)13-21(11-14-5-2-1-3-6-14)19(25)16-7-4-10-20(12-16)18(24)15-8-9-15/h1-3,5-6,15-16H,4,7-13H2,(H,22,23)
InChIKeyDUMPVHGAIQPVKG-UHFFFAOYSA-N
XLogP1.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-N-(2-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 120885269
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 60827023
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
3-N-(3-aminopropyl)-3-N-benzyl-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120648055
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
methyl 3-[benzyl-[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]propanoate
CID 55513167
1-(cyclopropanecarbonyl)-N,N-bis(2-hydroxyethyl)piperidine-3-carboxamide
CID 61233609
tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
CID 55462555
2-[benzyl-(4,4-difluorocyclohexanecarbonyl)amino]acetic acid
CID 120517973
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid (CID 119196915) is 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid is O=C(O)CN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
The InChIKey is DUMPVHGAIQPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(23)13-21(11-14-5-2-1-3-6-14)19(25)16-7-4-10-20(12-16)18(24)15-8-9-15/h1-3,5-6,15-16H,4,7-13H2,(H,22,23).
What are the key properties of 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid?
2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid has a molecular weight of 344.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 119196915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).