N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide

C10H20N4O2 — CID 108988177

IUPACN-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H20N4O2/c1-12(2)4-3-11-10(16)14-7-5-13(9-15)6-8-14/h9H,3-8H2,1-2H3,(H,11,16)
InChIKeyXYCCISQNQVDCJD-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.97
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide (PubChem CID 108988177) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide
PubChem CID108988177
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(C=O)CC1
InChIInChI=1S/C10H20N4O2/c1-12(2)4-3-11-10(16)14-7-5-13(9-15)6-8-14/h9H,3-8H2,1-2H3,(H,11,16)
InChIKeyXYCCISQNQVDCJD-UHFFFAOYSA-N
XLogP-0.97
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-formylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109133637
N-(3-chloropropyl)-4-formylpiperazine-1-carboxamide
CID 127572595
N-[2-(dimethylamino)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105782
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494
N-[2-(dimethylamino)ethyl]-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113105789
4-formyl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 108988593
N-[2-(dimethylamino)ethyl]-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075602
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
4-formyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974263
N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892
4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763476

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide (CID 108988177) is N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(C=O)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide?
The InChIKey is XYCCISQNQVDCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-12(2)4-3-11-10(16)14-7-5-13(9-15)6-8-14/h9H,3-8H2,1-2H3,(H,11,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide has a molecular weight of 228.30 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide is sourced from PubChem (CID 108988177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).