(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide

C17H27N3O3 — CID 767221

IUPAC(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCCN2N)cc1OCC(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)11-23-16-10-13(7-8-15(16)22-3)19-17(21)14-6-4-5-9-20(14)18/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyBQIKOYMNHSZVAB-AWEZNQCLSA-N
MW321.42 g/mol
LogP2.40
Rot. Bonds6

About (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide

(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide (PubChem CID 767221) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
PubChem CID767221
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCCN2N)cc1OCC(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)11-23-16-10-13(7-8-15(16)22-3)19-17(21)14-6-4-5-9-20(14)18/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyBQIKOYMNHSZVAB-AWEZNQCLSA-N
XLogP2.40
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 1119532
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide
CID 110194147
(2R)-N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(Z)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 40586803
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide
CID 110173562
N-(4-acetamidophenyl)-1-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]piperidine-2-carboxamide;hydrate
CID 110194273
N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-[(E)-1H-pyrrol-2-ylmethylideneamino]piperidine-2-carboxamide
CID 135517407
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906
N-(2-carbamoylphenyl)-1-[(E)-[4-methoxy-3-(2-methylpropoxy)phenyl]methylideneamino]piperidine-2-carboxamide
CID 110194180
(E)-but-2-enedioic acid;1-[(3,4-dimethoxyphenyl)methyl]-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-3-carboxamide
CID 17387395
methyl 4-[[2-[[4-methoxy-3-(2-methylpropoxy)phenyl]carbamoyloxy]piperidin-1-yl]iminomethyl]benzoate
CID 91465128
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide (CID 767221) is (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCCN2N)cc1OCC(C)C.
What is the InChIKey of (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is BQIKOYMNHSZVAB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)11-23-16-10-13(7-8-15(16)22-3)19-17(21)14-6-4-5-9-20(14)18/h7-8,10,12,14H,4-6,9,11,18H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide?
(2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-N-[4-methoxy-3-(2-methylpropoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 767221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).