4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide

C21H32N4O4 — CID 171554747

IUPAC4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)c1cccc(OCC2CCNCC2)c1N(C)C=O
InChIInChI=1S/C21H32N4O4/c1-22-20(28)8-7-17(13-26)25(3)18-5-4-6-19(21(18)24(2)15-27)29-14-16-9-11-23-12-10-16/h4-6,13,15-17,23H,7-12,14H2,1-3H3,(H,22,28)
InChIKeyZNCROCDJCYCCEO-UHFFFAOYSA-N
MW404.51 g/mol
LogP1.19
Rot. Bonds11

About 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide

4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide (PubChem CID 171554747) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide
PubChem CID171554747
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)N(C)c1cccc(OCC2CCNCC2)c1N(C)C=O
InChIInChI=1S/C21H32N4O4/c1-22-20(28)8-7-17(13-26)25(3)18-5-4-6-19(21(18)24(2)15-27)29-14-16-9-11-23-12-10-16/h4-6,13,15-17,23H,7-12,14H2,1-3H3,(H,22,28)
InChIKeyZNCROCDJCYCCEO-UHFFFAOYSA-N
XLogP1.19
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-formyl-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
CID 154670775
4-[formyl(methyl)amino]-N-methyl-5-oxopentanamide
CID 156711657
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
N-methyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062927
N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide
CID 79714818
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
CID 115047555
N-methyl-2-(piperidin-4-ylmethylamino)acetamide
CID 79708074
N-methyl-3-[methyl-(2-piperidin-4-ylacetyl)amino]propanamide;hydrochloride
CID 119772573
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463
N-[3-(2-methylpropoxy)phenyl]-2-piperidin-4-ylacetamide
CID 61030317
N-[1-(4-methylphenoxy)propan-2-yl]-2-piperidin-4-ylacetamide
CID 61171094

Frequently Asked Questions

What is the IUPAC name of 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide?
The IUPAC name of 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide (CID 171554747) is 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide is CNC(=O)CCC(C=O)N(C)c1cccc(OCC2CCNCC2)c1N(C)C=O.
What is the InChIKey of 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide?
The InChIKey is ZNCROCDJCYCCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-22-20(28)8-7-17(13-26)25(3)18-5-4-6-19(21(18)24(2)15-27)29-14-16-9-11-23-12-10-16/h4-6,13,15-17,23H,7-12,14H2,1-3H3,(H,22,28).
What are the key properties of 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide?
4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide has a molecular weight of 404.51 g/mol, XLogP of 1.19, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[formyl(methyl)amino]-N-methyl-3-(piperidin-4-ylmethoxy)anilino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 171554747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).