N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

C12H26N4O — CID 63253004

IUPACN-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C12H26N4O/c1-15(2)8-9-16-7-3-4-11(10-16)12(17)14-6-5-13/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyBYVBUQDMJUBSSG-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.67
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 63253004) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID63253004
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCN(C)CCN1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C12H26N4O/c1-15(2)8-9-16-7-3-4-11(10-16)12(17)14-6-5-13/h11H,3-10,13H2,1-2H3,(H,14,17)
InChIKeyBYVBUQDMJUBSSG-UHFFFAOYSA-N
XLogP-0.67
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-(2-ethoxyethyl)piperidine-3-carboxamide
CID 63252840
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883
N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704
N-(2-aminoethyl)-1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxamide
CID 114496435
N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
CID 63253099
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119916925
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119480879
tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
CID 63253049
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916688
N-(2-aminoethyl)-1-[3-(oxolan-2-yl)propyl]piperidine-3-carboxamide
CID 65162001

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 63253004) is N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is CN(C)CCN1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is BYVBUQDMJUBSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-15(2)8-9-16-7-3-4-11(10-16)12(17)14-6-5-13/h11H,3-10,13H2,1-2H3,(H,14,17).
What are the key properties of N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 242.37 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63253004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).