N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide

C19H28N4O2 — CID 75423322

IUPACN-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
SMILESCCN(CC)CCOC1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-22(4-2)12-13-25-18-8-10-23(11-9-18)19(24)21-17-7-5-6-16(14-17)15-20/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,21,24)
InChIKeyBDUODTIMDUFCNQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.91
Rot. Bonds7

About N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide

N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide (PubChem CID 75423322) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
PubChem CID75423322
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide
SMILESCCN(CC)CCOC1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-3-22(4-2)12-13-25-18-8-10-23(11-9-18)19(24)21-17-7-5-6-16(14-17)15-20/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,21,24)
InChIKeyBDUODTIMDUFCNQ-UHFFFAOYSA-N
XLogP2.91
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968
N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
N-(3-cyanophenyl)-4-[methyl(pyridazin-3-yl)amino]piperidine-1-carboxamide
CID 84599104
ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165761
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
(3R)-N-(3-cyanophenyl)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxamide
CID 97193180
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide (CID 75423322) is N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide is CCN(CC)CCOC1CCN(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide?
The InChIKey is BDUODTIMDUFCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-22(4-2)12-13-25-18-8-10-23(11-9-18)19(24)21-17-7-5-6-16(14-17)15-20/h5-7,14,18H,3-4,8-13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide?
N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-[2-(diethylamino)ethoxy]piperidine-1-carboxamide is sourced from PubChem (CID 75423322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).