(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide

C18H28N2O3 — CID 119679429

IUPAC(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OCCC
InChIInChI=1S/C18H28N2O3/c1-3-11-22-16-9-8-14(13-17(16)23-12-4-2)20-18(21)15-7-5-6-10-19-15/h8-9,13,15,19H,3-7,10-12H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVGNFDWTZDRGQEA-HNNXBMFYSA-N
MW320.43 g/mol
LogP3.34
Rot. Bonds8

About (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide

(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide (PubChem CID 119679429) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
PubChem CID119679429
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OCCC
InChIInChI=1S/C18H28N2O3/c1-3-11-22-16-9-8-14(13-17(16)23-12-4-2)20-18(21)15-7-5-6-10-19-15/h8-9,13,15,19H,3-7,10-12H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKeyVGNFDWTZDRGQEA-HNNXBMFYSA-N
XLogP3.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 43712591
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119717666
(2R)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]pyrrolidine-2-carboxamide
CID 104900490
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2S)-N-(3,4-dimethoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 119673647
N-(3,4-dimethoxyphenyl)azepane-2-carboxamide
CID 64562794
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
CID 64561866

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide (CID 119679429) is (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide is CCCOc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OCCC.
What is the InChIKey of (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide?
The InChIKey is VGNFDWTZDRGQEA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-11-22-16-9-8-14(13-17(16)23-12-4-2)20-18(21)15-7-5-6-10-19-15/h8-9,13,15,19H,3-7,10-12H2,1-2H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide?
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 119679429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).