N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

C23H30N4O3 — CID 3588490

IUPACN-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCOCCNC(=O)c1cc(NC(=O)Nc2ccc(C)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H30N4O3/c1-17-6-8-18(9-7-17)25-23(29)26-19-10-11-21(27-13-4-3-5-14-27)20(16-19)22(28)24-12-15-30-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyUGJRSKMVOMAJRN-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.01
Rot. Bonds7

About N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide

N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 3588490) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID3588490
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCOCCNC(=O)c1cc(NC(=O)Nc2ccc(C)cc2)ccc1N1CCCCC1
InChIInChI=1S/C23H30N4O3/c1-17-6-8-18(9-7-17)25-23(29)26-19-10-11-21(27-13-4-3-5-14-27)20(16-19)22(28)24-12-15-30-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyUGJRSKMVOMAJRN-UHFFFAOYSA-N
XLogP4.01
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756347
5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 4242222
ethyl 4-[[3-(2-methoxyethylcarbamoyl)-4-piperidin-1-ylphenyl]carbamoylamino]benzoate
CID 4551645
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756351
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722
5-[(4-chlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 4012992
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-[(4-bromobenzoyl)amino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 3349119
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 42660053
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 42661960
N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 3588490) is N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is COCCNC(=O)c1cc(NC(=O)Nc2ccc(C)cc2)ccc1N1CCCCC1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is UGJRSKMVOMAJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-6-8-18(9-7-17)25-23(29)26-19-10-11-21(27-13-4-3-5-14-27)20(16-19)22(28)24-12-15-30-2/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3588490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).