1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride

C18H27ClN2O3 — CID 119906651

IUPAC1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(C)(C)c1ccc(NC(=O)CN2CCC(C(=O)O)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-18(2,3)14-4-6-15(7-5-14)19-16(21)12-20-10-8-13(9-11-20)17(22)23;/h4-7,13H,8-12H2,1-3H3,(H,19,21)(H,22,23);1H
InChIKeyJFSZZGRFLPDAAH-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride

1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (PubChem CID 119906651) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
PubChem CID119906651
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
SMILESCC(C)(C)c1ccc(NC(=O)CN2CCC(C(=O)O)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-18(2,3)14-4-6-15(7-5-14)19-16(21)12-20-10-8-13(9-11-20)17(22)23;/h4-7,13H,8-12H2,1-3H3,(H,19,21)(H,22,23);1H
InChIKeyJFSZZGRFLPDAAH-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742171
N-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 82342704
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907297
1-[2-(4-tert-butylanilino)-2-oxoethyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 55852879
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride (CID 119906651) is 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride is CC(C)(C)c1ccc(NC(=O)CN2CCC(C(=O)O)CC2)cc1.Cl.
What is the InChIKey of 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is JFSZZGRFLPDAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-18(2,3)14-4-6-15(7-5-14)19-16(21)12-20-10-8-13(9-11-20)17(22)23;/h4-7,13H,8-12H2,1-3H3,(H,19,21)(H,22,23);1H.
What are the key properties of 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride?
1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 119906651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).