4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

C18H29N3O — CID 119836186

IUPAC4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-19-11-5-6-18(22)20-14-16-7-9-17(10-8-16)15-21-12-3-2-4-13-21/h7-10,19H,2-6,11-15H2,1H3,(H,20,22)
InChIKeyPJKZDLXGVWORPQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.29
Rot. Bonds8

About 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 119836186) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID119836186
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCNCCCC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H29N3O/c1-19-11-5-6-18(22)20-14-16-7-9-17(10-8-16)15-21-12-3-2-4-13-21/h7-10,19H,2-6,11-15H2,1H3,(H,20,22)
InChIKeyPJKZDLXGVWORPQ-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901607
2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
CID 32758147
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]cyclopropanecarboxamide
CID 39994439
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 119749212
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 38046570
4-(5-bromothiophen-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 18284230
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]butanamide
CID 69182329
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide (CID 119836186) is 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide is CNCCCC(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is PJKZDLXGVWORPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-19-11-5-6-18(22)20-14-16-7-9-17(10-8-16)15-21-12-3-2-4-13-21/h7-10,19H,2-6,11-15H2,1H3,(H,20,22).
What are the key properties of 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 303.45 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119836186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).