1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide

C13H25N3O2 — CID 103195276

IUPAC1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
SMILESCCNCC(C)C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C13H25N3O2/c1-4-15-8-10(2)13(18)16-7-5-6-11(9-16)12(17)14-3/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyYYHUWKSAIDLCCN-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.22
Rot. Bonds5

About 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide

1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103195276) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
PubChem CID103195276
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide
SMILESCCNCC(C)C(=O)N1CCCC(C(=O)NC)C1
InChIInChI=1S/C13H25N3O2/c1-4-15-8-10(2)13(18)16-7-5-6-11(9-16)12(17)14-3/h10-11,15H,4-9H2,1-3H3,(H,14,17)
InChIKeyYYHUWKSAIDLCCN-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852509
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
3-(ethylamino)-1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 102957635
1-[(2S)-2-aminobutanoyl]-N-methylpiperidine-3-carboxamide
CID 103796762
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
3-(ethylamino)-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 62854000
3-(ethylamino)-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 106835868
1-(2-carbamothioyl-3-methylbutanoyl)-N-methylpiperidine-3-carboxamide
CID 103195834
1-[3-(diethylamino)pyrrolidin-1-yl]-3-(ethylamino)-2-methylpropan-1-one
CID 63167112

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide (CID 103195276) is 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide is CCNCC(C)C(=O)N1CCCC(C(=O)NC)C1.
What is the InChIKey of 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is YYHUWKSAIDLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-15-8-10(2)13(18)16-7-5-6-11(9-16)12(17)14-3/h10-11,15H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide?
1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-2-methylpropanoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).