ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide

C14H36N4O2 — CID 170730069

IUPACethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
SMILESC=O.CC.CC.CC(=O)NCCN1CCNCC1.CN
InChIInChI=1S/C8H17N3O.2C2H6.CH5N.CH2O/c1-8(12)10-4-7-11-5-2-9-3-6-11;4*1-2/h9H,2-7H2,1H3,(H,10,12);2*1-2H3;2H2,1H3;1H2
InChIKeyXAICKUVPEHBPLO-UHFFFAOYSA-N
MW292.47 g/mol
LogP0.47
Rot. Bonds3

About ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide

ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 170730069) has the molecular formula C14H36N4O2 and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Nameethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
PubChem CID170730069
Molecular FormulaC14H36N4O2
Molecular Weight292.47 g/mol
Exact Mass292.28
IUPAC Nameethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
SMILESC=O.CC.CC.CC(=O)NCCN1CCNCC1.CN
InChIInChI=1S/C8H17N3O.2C2H6.CH5N.CH2O/c1-8(12)10-4-7-11-5-2-9-3-6-11;4*1-2/h9H,2-7H2,1H3,(H,10,12);2*1-2H3;2H2,1H3;1H2
InChIKeyXAICKUVPEHBPLO-UHFFFAOYSA-N
XLogP0.47
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
CID 43600174
1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108910627
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-[[1-(2-piperazin-1-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736381
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
2-(diethylsulfamoyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119449276
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide (CID 170730069) is ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide is C=O.CC.CC.CC(=O)NCCN1CCNCC1.CN.
What is the InChIKey of ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is XAICKUVPEHBPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O.2C2H6.CH5N.CH2O/c1-8(12)10-4-7-11-5-2-9-3-6-11;4*1-2/h9H,2-7H2,1H3,(H,10,12);2*1-2H3;2H2,1H3;1H2.
What are the key properties of ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide?
ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 292.47 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 170730069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).