1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide

C24H32N4O3 — CID 55960659

IUPAC1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C24H32N4O3/c1-27(2)14-15-31-22-9-4-3-8-21(22)24(30)26-20-7-5-6-18(16-20)17-28-12-10-19(11-13-28)23(25)29/h3-9,16,19H,10-15,17H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyMODAPNGAGCLQDS-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.58
Rot. Bonds9

About 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55960659) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID55960659
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCN(C)CCOc1ccccc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C24H32N4O3/c1-27(2)14-15-31-22-9-4-3-8-21(22)24(30)26-20-7-5-6-18(16-20)17-28-12-10-19(11-13-28)23(25)29/h3-9,16,19H,10-15,17H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyMODAPNGAGCLQDS-UHFFFAOYSA-N
XLogP2.58
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858769
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959465
1-[[3-[[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carbonyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901673
1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768096
2-[2-(dimethylamino)ethoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55728637
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
1-[[3-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853121

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 55960659) is 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide is CN(C)CCOc1ccccc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MODAPNGAGCLQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-27(2)14-15-31-22-9-4-3-8-21(22)24(30)26-20-7-5-6-18(16-20)17-28-12-10-19(11-13-28)23(25)29/h3-9,16,19H,10-15,17H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55960659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).