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

C18H23ClN2O4 — CID 119198394

IUPAC2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O4/c1-12(2)21(11-16(22)23)18(25)14-4-3-9-20(10-14)17(24)13-5-7-15(19)8-6-13/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,22,23)
InChIKeyIVNTVWMFQBUWGU-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.51
Rot. Bonds5

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

2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 119198394) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID119198394
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H23ClN2O4/c1-12(2)21(11-16(22)23)18(25)14-4-3-9-20(10-14)17(24)13-5-7-15(19)8-6-13/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,22,23)
InChIKeyIVNTVWMFQBUWGU-UHFFFAOYSA-N
XLogP2.51
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzoylpiperidine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 119198387
3-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207299
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
1-(4-chlorobenzoyl)-N,N-bis(2-cyanoethyl)piperidine-3-carboxamide
CID 51185593
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119170132
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 42908642
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid (CID 119198394) is 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is IVNTVWMFQBUWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-12(2)21(11-16(22)23)18(25)14-4-3-9-20(10-14)17(24)13-5-7-15(19)8-6-13/h5-8,12,14H,3-4,9-11H2,1-2H3,(H,22,23).
What are the key properties of 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid?
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 366.85 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).