2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide

C22H35N3O2 — CID 32758147

IUPAC2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H35N3O2/c1-22(2,3)21(27)23-13-7-8-20(26)24-16-18-9-11-19(12-10-18)17-25-14-5-4-6-15-25/h9-12H,4-8,13-17H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGGCSPJVWCAIWAI-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.23
Rot. Bonds8

About 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide

2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide (PubChem CID 32758147) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
PubChem CID32758147
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H35N3O2/c1-22(2,3)21(27)23-13-7-8-20(26)24-16-18-9-11-19(12-10-18)17-25-14-5-4-6-15-25/h9-12H,4-8,13-17H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGGCSPJVWCAIWAI-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.23
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-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
4-(methylamino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119835753
N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]cyclopropanecarboxamide
CID 39994439
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 38046570
N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55714907
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901607
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
N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide (CID 32758147) is 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide is CC(C)(C)C(=O)NCCCC(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide?
The InChIKey is GGCSPJVWCAIWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-22(2,3)21(27)23-13-7-8-20(26)24-16-18-9-11-19(12-10-18)17-25-14-5-4-6-15-25/h9-12H,4-8,13-17H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide?
2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide has a molecular weight of 373.54 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide is sourced from PubChem (CID 32758147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).