1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

C17H23NO4 — CID 119251479

IUPAC1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-16(2,3)13-6-4-12(5-7-13)14(19)18-10-8-17(22,9-11-18)15(20)21/h4-7,22H,8-11H2,1-3H3,(H,20,21)
InChIKeyNMKMZXFNZCVHOC-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.04
Rot. Bonds2

About 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119251479) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119251479
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C17H23NO4/c1-16(2,3)13-6-4-12(5-7-13)14(19)18-10-8-17(22,9-11-18)15(20)21/h4-7,22H,8-11H2,1-3H3,(H,20,21)
InChIKeyNMKMZXFNZCVHOC-UHFFFAOYSA-N
XLogP2.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706809
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-[2-(4-tert-butylphenyl)sulfanylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251103
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
(4-tert-butylphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 90510436
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566
4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
CID 119251411
4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid
CID 119251458

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119251479) is 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is CC(C)(C)c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is NMKMZXFNZCVHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(2,3)13-6-4-12(5-7-13)14(19)18-10-8-17(22,9-11-18)15(20)21/h4-7,22H,8-11H2,1-3H3,(H,20,21).
What are the key properties of 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119251479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).