1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid

C14H18N2O3 — CID 110835597

IUPAC1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCc1ccncc1
InChIInChI=1S/C14H18N2O3/c17-13(5-4-11-6-8-15-9-7-11)16-10-2-1-3-12(16)14(18)19/h6-9,12H,1-5,10H2,(H,18,19)
InChIKeyDKARKZSQRTXRDX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds4

About 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid

1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 110835597) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
PubChem CID110835597
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)CCc1ccncc1
InChIInChI=1S/C14H18N2O3/c17-13(5-4-11-6-8-15-9-7-11)16-10-2-1-3-12(16)14(18)19/h6-9,12H,1-5,10H2,(H,18,19)
InChIKeyDKARKZSQRTXRDX-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 43356028
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225
1-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119355979
(2S)-1-[3-(3-bromophenyl)propanoyl]piperidine-2-carboxylic acid
CID 66262981
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
(2S)-1-[3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365191
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
1-[3-(3-bromophenyl)propanoyl]azepane-2-carboxylic acid
CID 64559561
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid (CID 110835597) is 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)CCc1ccncc1.
What is the InChIKey of 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is DKARKZSQRTXRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(5-4-11-6-8-15-9-7-11)16-10-2-1-3-12(16)14(18)19/h6-9,12H,1-5,10H2,(H,18,19).
What are the key properties of 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid?
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 110835597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).