4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide

C19H32N4O2 — CID 120597557

IUPAC4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)CC(CN)OC)cc2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-22-8-10-23(11-9-22)15-17-6-4-16(5-7-17)14-21-19(24)12-18(13-20)25-2/h4-7,18H,3,8-15,20H2,1-2H3,(H,21,24)
InChIKeyBOJNVXMOUWWZPG-UHFFFAOYSA-N
MW348.49 g/mol
LogP0.80
Rot. Bonds9

About 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide

4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide (PubChem CID 120597557) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
PubChem CID120597557
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
SMILESCCN1CCN(Cc2ccc(CNC(=O)CC(CN)OC)cc2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-22-8-10-23(11-9-22)15-17-6-4-16(5-7-17)14-21-19(24)12-18(13-20)25-2/h4-7,18H,3,8-15,20H2,1-2H3,(H,21,24)
InChIKeyBOJNVXMOUWWZPG-UHFFFAOYSA-N
XLogP0.80
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methoxybutanamide
CID 120597571
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901607
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204
5-[[(4-amino-3-methoxybutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 103156329

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide (CID 120597557) is 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide is CCN1CCN(Cc2ccc(CNC(=O)CC(CN)OC)cc2)CC1.
What is the InChIKey of 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide?
The InChIKey is BOJNVXMOUWWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-22-8-10-23(11-9-22)15-17-6-4-16(5-7-17)14-21-19(24)12-18(13-20)25-2/h4-7,18H,3,8-15,20H2,1-2H3,(H,21,24).
What are the key properties of 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide?
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide has a molecular weight of 348.49 g/mol, XLogP of 0.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide is sourced from PubChem (CID 120597557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).