4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide

C21H32N4O3 — CID 170572889

IUPAC4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)c1ccc(CN2CCCCC2)cc1N(C)C=O
InChIInChI=1S/C21H32N4O3/c1-22-21(28)10-8-18(15-26)24(3)19-9-7-17(13-20(19)23(2)16-27)14-25-11-5-4-6-12-25/h7,9,13,15-16,18H,4-6,8,10-12,14H2,1-3H3,(H,22,28)
InChIKeyAMMSKROJSMRBHL-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.79
Rot. Bonds10

About 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide

4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide (PubChem CID 170572889) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide
PubChem CID170572889
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)c1ccc(CN2CCCCC2)cc1N(C)C=O
InChIInChI=1S/C21H32N4O3/c1-22-21(28)10-8-18(15-26)24(3)19-9-7-17(13-20(19)23(2)16-27)14-25-11-5-4-6-12-25/h7,9,13,15-16,18H,4-6,8,10-12,14H2,1-3H3,(H,22,28)
InChIKeyAMMSKROJSMRBHL-UHFFFAOYSA-N
XLogP1.79
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
N-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methyl]-2-(dimethylamino)phenyl]-N-methylformamide
CID 169137795
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
4-(methylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 119836186
N-methyl-4-[3-methyl-5-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
CID 156860499
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904

Frequently Asked Questions

What is the IUPAC name of 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide (CID 170572889) is 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)N(C)c1ccc(CN2CCCCC2)cc1N(C)C=O.
What is the InChIKey of 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide?
The InChIKey is AMMSKROJSMRBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-22-21(28)10-8-18(15-26)24(3)19-9-7-17(13-20(19)23(2)16-27)14-25-11-5-4-6-12-25/h7,9,13,15-16,18H,4-6,8,10-12,14H2,1-3H3,(H,22,28).
What are the key properties of 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide?
4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide has a molecular weight of 388.51 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[formyl(methyl)amino]-N-methyl-4-(piperidin-1-ylmethyl)anilino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 170572889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).