N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide

C19H35N5O2 — CID 123491361

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide
SMILESCCN1CCN(CCNC(=O)C=CCC(=O)NC2CCN(C)CC2)CC1
InChIInChI=1S/C19H35N5O2/c1-3-23-13-15-24(16-14-23)12-9-20-18(25)5-4-6-19(26)21-17-7-10-22(2)11-8-17/h4-5,17H,3,6-16H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyZXHZWWMELFMZQI-UHFFFAOYSA-N
MW365.52 g/mol
LogP-0.10
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide (PubChem CID 123491361) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide
PubChem CID123491361
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide
SMILESCCN1CCN(CCNC(=O)C=CCC(=O)NC2CCN(C)CC2)CC1
InChIInChI=1S/C19H35N5O2/c1-3-23-13-15-24(16-14-23)12-9-20-18(25)5-4-6-19(26)21-17-7-10-22(2)11-8-17/h4-5,17H,3,6-16H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyZXHZWWMELFMZQI-UHFFFAOYSA-N
XLogP-0.10
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
CID 112724016
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-(4-ethylpiperazin-1-yl)ethyl]urea
CID 95134797
N-(1-ethylpiperidin-4-yl)-4-hydroxybutanamide
CID 79192481
2-(cyclopropylmethylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 54917428
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 86908543
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
formic acid;2-[4-(hex-3-enoylamino)piperidin-1-yl]acetic acid
CID 171149675
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256830
2-(tert-butylamino)-N-(1-ethylpiperidin-4-yl)acetamide
CID 78986739
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide (CID 123491361) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide is CCN1CCN(CCNC(=O)C=CCC(=O)NC2CCN(C)CC2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide?
The InChIKey is ZXHZWWMELFMZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-3-23-13-15-24(16-14-23)12-9-20-18(25)5-4-6-19(26)21-17-7-10-22(2)11-8-17/h4-5,17H,3,6-16H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide has a molecular weight of 365.52 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide is sourced from PubChem (CID 123491361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).