(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide

C17H26N2O3 — CID 97261232

IUPAC(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)14-8-9-19(11-15(14)20)16(21)18-12-6-5-7-13(10-12)22-4/h5-7,10,14-15,20H,8-9,11H2,1-4H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyUSBQUMFNFIOJEG-CABCVRRESA-N
MW306.41 g/mol
LogP2.96
Rot. Bonds2

About (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide

(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 97261232) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID97261232
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)14-8-9-19(11-15(14)20)16(21)18-12-6-5-7-13(10-12)22-4/h5-7,10,14-15,20H,8-9,11H2,1-4H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyUSBQUMFNFIOJEG-CABCVRRESA-N
XLogP2.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724
N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
CID 20930658
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
(2R)-1-N,2-N-bis(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468886

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 97261232) is (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1.
What is the InChIKey of (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is USBQUMFNFIOJEG-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)14-8-9-19(11-15(14)20)16(21)18-12-6-5-7-13(10-12)22-4/h5-7,10,14-15,20H,8-9,11H2,1-4H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide?
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97261232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).