3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid

C16H22N2O3 — CID 61408528

IUPAC3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
SMILESCCCN(C(=O)c1cccc(C(=O)O)c1)C1CCNCC1
InChIInChI=1S/C16H22N2O3/c1-2-10-18(14-6-8-17-9-7-14)15(19)12-4-3-5-13(11-12)16(20)21/h3-5,11,14,17H,2,6-10H2,1H3,(H,20,21)
InChIKeyIDCSYOFQPUHFBU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.99
Rot. Bonds5

About 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid

3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid (PubChem CID 61408528) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
PubChem CID61408528
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
SMILESCCCN(C(=O)c1cccc(C(=O)O)c1)C1CCNCC1
InChIInChI=1S/C16H22N2O3/c1-2-10-18(14-6-8-17-9-7-14)15(19)12-4-3-5-13(11-12)16(20)21/h3-5,11,14,17H,2,6-10H2,1H3,(H,20,21)
InChIKeyIDCSYOFQPUHFBU-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid?
The IUPAC name of 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid (CID 61408528) is 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid.
What is the SMILES notation for 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid?
The canonical SMILES for 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid is CCCN(C(=O)c1cccc(C(=O)O)c1)C1CCNCC1.
What is the InChIKey of 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid?
The InChIKey is IDCSYOFQPUHFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-10-18(14-6-8-17-9-7-14)15(19)12-4-3-5-13(11-12)16(20)21/h3-5,11,14,17H,2,6-10H2,1H3,(H,20,21).
What are the key properties of 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid?
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid is sourced from PubChem (CID 61408528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).