(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

C17H34N2O3 — CID 97307433

IUPAC(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(OCC)OCC)C1
InChIInChI=1S/C17H34N2O3/c1-5-9-14(4)18-17(20)15-10-8-11-19(12-15)13-16(21-6-2)22-7-3/h14-16H,5-13H2,1-4H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyKOXMGODERWQAFH-LSDHHAIUSA-N
MW314.47 g/mol
LogP2.40
Rot. Bonds10

About (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 97307433) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID97307433
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Name(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(OCC)OCC)C1
InChIInChI=1S/C17H34N2O3/c1-5-9-14(4)18-17(20)15-10-8-11-19(12-15)13-16(21-6-2)22-7-3/h14-16H,5-13H2,1-4H3,(H,18,20)/t14-,15+/m0/s1
InChIKeyKOXMGODERWQAFH-LSDHHAIUSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-pentan-2-ylcyclohexanecarboxamide
CID 19916603
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444451
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
1-(1,4-dioxan-2-ylmethyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 126816532
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 127264806
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide (CID 97307433) is (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@H](C)NC(=O)[C@@H]1CCCN(CC(OCC)OCC)C1.
What is the InChIKey of (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is KOXMGODERWQAFH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H34N2O3/c1-5-9-14(4)18-17(20)15-10-8-11-19(12-15)13-16(21-6-2)22-7-3/h14-16H,5-13H2,1-4H3,(H,18,20)/t14-,15+/m0/s1.
What are the key properties of (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 2.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 97307433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).