N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide

C23H32N4O2 — CID 55911750

IUPACN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
SMILESCN1CCN(c2cc(CNC(=O)CCCOCCc3ccccc3)ccn2)CC1
InChIInChI=1S/C23H32N4O2/c1-26-12-14-27(15-13-26)22-18-21(9-11-24-22)19-25-23(28)8-5-16-29-17-10-20-6-3-2-4-7-20/h2-4,6-7,9,11,18H,5,8,10,12-17,19H2,1H3,(H,25,28)
InChIKeyPQDIMOSLKULTQS-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.49
Rot. Bonds10

About N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide

N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide (PubChem CID 55911750) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
PubChem CID55911750
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide
SMILESCN1CCN(c2cc(CNC(=O)CCCOCCc3ccccc3)ccn2)CC1
InChIInChI=1S/C23H32N4O2/c1-26-12-14-27(15-13-26)22-18-21(9-11-24-22)19-25-23(28)8-5-16-29-17-10-20-6-3-2-4-7-20/h2-4,6-7,9,11,18H,5,8,10,12-17,19H2,1H3,(H,25,28)
InChIKeyPQDIMOSLKULTQS-UHFFFAOYSA-N
XLogP2.49
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55742598
5-(2,5-dimethylphenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 47925567
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
4-(2-methylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]butanamide
CID 37313546
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55820094
2-(2,5-dichlorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]acetamide
CID 55742632
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 86945172
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide (CID 55911750) is N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide is CN1CCN(c2cc(CNC(=O)CCCOCCc3ccccc3)ccn2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide?
The InChIKey is PQDIMOSLKULTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-26-12-14-27(15-13-26)22-18-21(9-11-24-22)19-25-23(28)8-5-16-29-17-10-20-6-3-2-4-7-20/h2-4,6-7,9,11,18H,5,8,10,12-17,19H2,1H3,(H,25,28).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide?
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide has a molecular weight of 396.54 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-(2-phenylethoxy)butanamide is sourced from PubChem (CID 55911750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).