(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide

C14H26N2O2 — CID 95318260

IUPAC(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC)C1
InChIInChI=1S/C14H26N2O2/c1-4-7-11(3)14(18)16-9-6-8-12(10-16)13(17)15-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyMZLODRSTFOAXIQ-VXGBXAGGSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds5

About (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide

(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide (PubChem CID 95318260) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
PubChem CID95318260
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC)C1
InChIInChI=1S/C14H26N2O2/c1-4-7-11(3)14(18)16-9-6-8-12(10-16)13(17)15-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyMZLODRSTFOAXIQ-VXGBXAGGSA-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-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
(3R)-N-ethyl-1-(4-methylpentanoyl)piperidine-3-carboxamide
CID 94884745
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
CID 103195276
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
1-(2-methylbutanoyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119510783
4-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119188599
2-methyl-2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119192353
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 119480340

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide (CID 95318260) is (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide is CCC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCC)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide?
The InChIKey is MZLODRSTFOAXIQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-7-11(3)14(18)16-9-6-8-12(10-16)13(17)15-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide?
(3R)-N-ethyl-1-[(2R)-2-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-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 95318260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).