N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide

C27H33N3O2 — CID 60514201

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CCCOc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C27H33N3O2/c1-29-15-17-30(18-16-29)21-23-13-11-22(12-14-23)20-28-27(31)10-5-19-32-26-9-4-7-24-6-2-3-8-25(24)26/h2-4,6-9,11-14H,5,10,15-21H2,1H3,(H,28,31)
InChIKeyBIZZJBYYVPFNSF-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.06
Rot. Bonds9

About N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide

N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 60514201) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
PubChem CID60514201
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CCCOc3cccc4ccccc34)cc2)CC1
InChIInChI=1S/C27H33N3O2/c1-29-15-17-30(18-16-29)21-23-13-11-22(12-14-23)20-28-27(31)10-5-19-32-26-9-4-7-24-6-2-3-8-25(24)26/h2-4,6-9,11-14H,5,10,15-21H2,1H3,(H,28,31)
InChIKeyBIZZJBYYVPFNSF-UHFFFAOYSA-N
XLogP4.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55746982
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
N-[[4-(dimethylamino)phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 46469275
4-(2-chlorophenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 108766064
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546425
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 39963323
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015221
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 119901424
4-(3-methylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 24549518
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide (CID 60514201) is N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide is CN1CCN(Cc2ccc(CNC(=O)CCCOc3cccc4ccccc34)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is BIZZJBYYVPFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-29-15-17-30(18-16-29)21-23-13-11-22(12-14-23)20-28-27(31)10-5-19-32-26-9-4-7-24-6-2-3-8-25(24)26/h2-4,6-9,11-14H,5,10,15-21H2,1H3,(H,28,31).
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide?
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 431.58 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 60514201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).