(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide

C14H26N2O2 — CID 94884745

IUPAC(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-15-14(18)12-6-5-9-16(10-12)13(17)8-7-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyZLOIDGJCQLEHLB-GFCCVEGCSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds5

About (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide

(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide (PubChem CID 94884745) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
PubChem CID94884745
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(C(=O)CCC(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-15-14(18)12-6-5-9-16(10-12)13(17)8-7-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyZLOIDGJCQLEHLB-GFCCVEGCSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
1-(4-aminopentanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120561824
(2R)-2-[(1-butanoylpiperidine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119363635
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide (CID 94884745) is (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide is CCNC(=O)[C@@H]1CCCN(C(=O)CCC(C)C)C1.
What is the InChIKey of (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide?
The InChIKey is ZLOIDGJCQLEHLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-15-14(18)12-6-5-9-16(10-12)13(17)8-7-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide?
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94884745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).