(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide

C17H26N2O2 — CID 99970521

IUPAC(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-16(9-7-13)21-12-14(2)18-17(20)15-5-4-10-19(3)11-15/h6-9,14-15H,4-5,10-12H2,1-3H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyAORCLLPVKYNSPA-HUUCEWRRSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds5

About (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide

(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide (PubChem CID 99970521) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
PubChem CID99970521
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
SMILESCc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-13-6-8-16(9-7-13)21-12-14(2)18-17(20)15-5-4-10-19(3)11-15/h6-9,14-15H,4-5,10-12H2,1-3H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyAORCLLPVKYNSPA-HUUCEWRRSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 132649936
(3R)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666449
(3R)-1-(benzenesulfonyl)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 99254445
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100675994
(3R)-1-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95904024
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
2-amino-N-[1-(4-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 64822656
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95157805
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
1-(4-methoxyphenyl)sulfonyl-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 133167697
1-[(4-chlorophenyl)methyl]-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 94013561
3-[(1-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 53216017

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide (CID 99970521) is (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide is Cc1ccc(OC[C@@H](C)NC(=O)[C@@H]2CCCN(C)C2)cc1.
What is the InChIKey of (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is AORCLLPVKYNSPA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-8-16(9-7-13)21-12-14(2)18-17(20)15-5-4-10-19(3)11-15/h6-9,14-15H,4-5,10-12H2,1-3H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide?
(3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 99970521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).