N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride

C14H28ClN5O2 — CID 120980560

IUPACN-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C14H27N5O2.ClH/c1-2-16-14(21)19-11-9-17(10-12-19)6-3-13(20)18-7-4-15-5-8-18;/h15H,2-12H2,1H3,(H,16,21);1H
InChIKeyPUMLPBGMPSYXFK-UHFFFAOYSA-N
MW333.86 g/mol
LogP-0.42
Rot. Bonds4

About N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride

N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 120980560) has the molecular formula C14H28ClN5O2 and a molecular weight of 333.86 g/mol. Its IUPAC name is N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
PubChem CID120980560
Molecular FormulaC14H28ClN5O2
Molecular Weight333.86 g/mol
Exact Mass333.19
IUPAC NameN-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C14H27N5O2.ClH/c1-2-16-14(21)19-11-9-17(10-12-19)6-3-13(20)18-7-4-15-5-8-18;/h15H,2-12H2,1H3,(H,16,21);1H
InChIKeyPUMLPBGMPSYXFK-UHFFFAOYSA-N
XLogP-0.42
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethylpiperazine-1-carboxamide
CID 9207783
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416
N,4-diethylpiperazine-1-carboxamide
CID 22309084
3-(1,4-diazepan-1-yl)-N-ethylpropanamide
CID 62324150
4-(3-aminopropyl)-N-ethylpiperazine-1-carboxamide
CID 43251283
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride (CID 120980560) is N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(CCC(=O)N2CCNCC2)CC1.Cl.
What is the InChIKey of N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is PUMLPBGMPSYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2.ClH/c1-2-16-14(21)19-11-9-17(10-12-19)6-3-13(20)18-7-4-15-5-8-18;/h15H,2-12H2,1H3,(H,16,21);1H.
What are the key properties of N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride?
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120980560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).