1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid

C16H21NO4 — CID 63125171

IUPAC1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C16H21NO4/c1-2-6-16(15(20)21)7-9-17(10-8-16)14(19)12-4-3-5-13(18)11-12/h3-5,11,18H,2,6-10H2,1H3,(H,20,21)
InChIKeyMBKYHBKHOQNHRM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds4

About 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid

1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125171) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63125171
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C16H21NO4/c1-2-6-16(15(20)21)7-9-17(10-8-16)14(19)12-4-3-5-13(18)11-12/h3-5,11,18H,2,6-10H2,1H3,(H,20,21)
InChIKeyMBKYHBKHOQNHRM-UHFFFAOYSA-N
XLogP2.50
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125102
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
1-(3-chlorobenzoyl)-4-ethylpiperidine-4-carboxylic acid
CID 63124878
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
(3S)-8-(3-hydroxybenzoyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861164
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
1-(1-ethylpyrrole-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125677
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(4-bromo-3-fluorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146053
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid (CID 63125171) is 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is MBKYHBKHOQNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-6-16(15(20)21)7-9-17(10-8-16)14(19)12-4-3-5-13(18)11-12/h3-5,11,18H,2,6-10H2,1H3,(H,20,21).
What are the key properties of 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).