(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide

C17H26N2O3 — CID 97025727

IUPAC(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1cccc(C)c1
InChIInChI=1S/C17H26N2O3/c1-3-15(22-16-8-4-6-13(2)10-16)11-18-17(21)19-9-5-7-14(20)12-19/h4,6,8,10,14-15,20H,3,5,7,9,11-12H2,1-2H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyGWFPUGBCVMOTNS-HUUCEWRRSA-N
MW306.41 g/mol
LogP2.32
Rot. Bonds5

About (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide

(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide (PubChem CID 97025727) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
PubChem CID97025727
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
SMILESCC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1cccc(C)c1
InChIInChI=1S/C17H26N2O3/c1-3-15(22-16-8-4-6-13(2)10-16)11-18-17(21)19-9-5-7-14(20)12-19/h4,6,8,10,14-15,20H,3,5,7,9,11-12H2,1-2H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyGWFPUGBCVMOTNS-HUUCEWRRSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
CID 97025731
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
N-[2-(3-methylphenoxy)butyl]piperidine-4-carboxamide
CID 119344253
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
(3R)-3-hydroxy-N-[2-(2-methylphenoxy)propyl]piperidine-1-carboxamide
CID 167822127
N-[2-(3-methylphenoxy)butyl]-2-pyrrolidin-2-ylacetamide
CID 119819909
N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111974572
3-amino-2-methyl-N-[2-(3-methylphenoxy)butyl]butanamide
CID 120502281
1-(3-aminopiperidin-1-yl)-2-(3-methylphenoxy)butan-1-one
CID 119380669
3-hydroxy-N-[4-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 75502896
N-[2-(3-methylphenoxy)butyl]-3-piperidin-3-ylbutanamide
CID 119819887
(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
CID 97027498

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide (CID 97025727) is (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide is CC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1cccc(C)c1.
What is the InChIKey of (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide?
The InChIKey is GWFPUGBCVMOTNS-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-15(22-16-8-4-6-13(2)10-16)11-18-17(21)19-9-5-7-14(20)12-19/h4,6,8,10,14-15,20H,3,5,7,9,11-12H2,1-2H3,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide?
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide is sourced from PubChem (CID 97025727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).