4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide

C13H28N4O — CID 114499582

IUPAC4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCNCC1C
InChIInChI=1S/C13H28N4O/c1-4-17(5-2)9-8-16-13(12(14)18)6-7-15-10-11(13)3/h11,15-16H,4-10H2,1-3H3,(H2,14,18)
InChIKeyOJJOZVNAJGDVTD-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.23
Rot. Bonds7

About 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide

4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide (PubChem CID 114499582) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide
PubChem CID114499582
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCNCC1C
InChIInChI=1S/C13H28N4O/c1-4-17(5-2)9-8-16-13(12(14)18)6-7-15-10-11(13)3/h11,15-16H,4-10H2,1-3H3,(H2,14,18)
InChIKeyOJJOZVNAJGDVTD-UHFFFAOYSA-N
XLogP-0.23
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide?
The IUPAC name of 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide (CID 114499582) is 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide is CCN(CC)CCNC1(C(N)=O)CCNCC1C.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide?
The InChIKey is OJJOZVNAJGDVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-17(5-2)9-8-16-13(12(14)18)6-7-15-10-11(13)3/h11,15-16H,4-10H2,1-3H3,(H2,14,18).
What are the key properties of 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide?
4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide has a molecular weight of 256.39 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide is sourced from PubChem (CID 114499582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).