(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide

C12H24N2O2 — CID 99970155

IUPAC(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C12H24N2O2/c1-3-16-9-5-7-13-12(15)11-6-4-8-14(2)10-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyXTWJIZUPZVYCFP-LLVKDONJSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds6

About (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide

(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide (PubChem CID 99970155) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
PubChem CID99970155
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
SMILESCCOCCCNC(=O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C12H24N2O2/c1-3-16-9-5-7-13-12(15)11-6-4-8-14(2)10-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyXTWJIZUPZVYCFP-LLVKDONJSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203909
(3S)-N-(3-ethoxypropyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115533
N-(3-ethoxypropyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 99969773
N-(3-ethoxypropyl)-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60500354
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923972
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 7263242
1-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132650772

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide (CID 99970155) is (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide is CCOCCCNC(=O)[C@@H]1CCCN(C)C1.
What is the InChIKey of (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is XTWJIZUPZVYCFP-LLVKDONJSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-16-9-5-7-13-12(15)11-6-4-8-14(2)10-11/h11H,3-10H2,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide?
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99970155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).