N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide

C20H30N4O2 — CID 55842889

IUPACN-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)C2CC2)CC1
InChIInChI=1S/C20H30N4O2/c1-2-23-9-11-24(12-10-23)15-18-6-4-3-5-17(18)13-21-19(25)14-22-20(26)16-7-8-16/h3-6,16H,2,7-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyOZQZUAUKLFZVAC-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.97
Rot. Bonds8

About N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 55842889) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID55842889
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)C2CC2)CC1
InChIInChI=1S/C20H30N4O2/c1-2-23-9-11-24(12-10-23)15-18-6-4-3-5-17(18)13-21-19(25)14-22-20(26)16-7-8-16/h3-6,16H,2,7-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyOZQZUAUKLFZVAC-UHFFFAOYSA-N
XLogP0.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 55714786
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119901686
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55843018
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55762545
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55715034
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55715142

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide (CID 55842889) is N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide is CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is OZQZUAUKLFZVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-2-23-9-11-24(12-10-23)15-18-6-4-3-5-17(18)13-21-19(25)14-22-20(26)16-7-8-16/h3-6,16H,2,7-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 358.49 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 55842889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).