3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

C20H33N3O — CID 109032069

IUPAC3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC(C)CCNCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O/c1-16(2)8-12-21-13-9-20(24)22-18-4-6-19(7-5-18)23-14-10-17(3)11-15-23/h4-7,16-17,21H,8-15H2,1-3H3,(H,22,24)
InChIKeyBTPOGPXACYHFJW-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.89
Rot. Bonds8

About 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide

3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (PubChem CID 109032069) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
PubChem CID109032069
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC(C)CCNCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H33N3O/c1-16(2)8-12-21-13-9-20(24)22-18-4-6-19(7-5-18)23-14-10-17(3)11-15-23/h4-7,16-17,21H,8-15H2,1-3H3,(H,22,24)
InChIKeyBTPOGPXACYHFJW-UHFFFAOYSA-N
XLogP3.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-(3-methylpyrrolidin-1-yl)-4-oxobutanamide
CID 86897059
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136961
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
5-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 43346973
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
2-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113153332
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
CID 9033716

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (CID 109032069) is 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is CC(C)CCNCCC(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is BTPOGPXACYHFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-16(2)8-12-21-13-9-20(24)22-18-4-6-19(7-5-18)23-14-10-17(3)11-15-23/h4-7,16-17,21H,8-15H2,1-3H3,(H,22,24).
What are the key properties of 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 331.50 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 109032069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).