3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide

C23H30N4O3 — CID 48768021

IUPAC3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESCCOCc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H30N4O3/c1-2-30-16-18-8-6-17(7-9-18)15-25-23(29)26-20-14-19(22(24)28)10-11-21(20)27-12-4-3-5-13-27/h6-11,14H,2-5,12-13,15-16H2,1H3,(H2,24,28)(H2,25,26,29)
InChIKeyFIABRQQTCFGARW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.63
Rot. Bonds8

About 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide

3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide (PubChem CID 48768021) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide
PubChem CID48768021
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide
SMILESCCOCc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H30N4O3/c1-2-30-16-18-8-6-17(7-9-18)15-25-23(29)26-20-14-19(22(24)28)10-11-21(20)27-12-4-3-5-13-27/h6-11,14H,2-5,12-13,15-16H2,1H3,(H2,24,28)(H2,25,26,29)
InChIKeyFIABRQQTCFGARW-UHFFFAOYSA-N
XLogP3.63
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47818113
ethyl 2-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyrrolidin-1-ylphenyl]carbamoylamino]acetate
CID 20964866
3-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47075949
3-[3-(cyclopropylmethoxy)propylcarbamoylamino]-4-piperidin-1-ylbenzamide
CID 47818496
methyl 3-[(3,5-difluorophenyl)methylcarbamoylamino]-4-pyrrolidin-1-ylbenzoate
CID 55698536
methyl 3-(4-ethoxybutylcarbamoylamino)-4-pyrrolidin-1-ylbenzoate
CID 51118623
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
1-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-[(4-methylphenyl)methyl]urea
CID 22433853
3-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55909801
N-[3-(benzylcarbamoylamino)-4-pyrrolidin-1-ylphenyl]-4-methylbenzamide
CID 46326423
methyl 3-[(3-methylthiophen-2-yl)methylcarbamoylamino]-4-pyrrolidin-1-ylbenzoate
CID 51115320

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide (CID 48768021) is 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide is CCOCc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)cc1.
What is the InChIKey of 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
The InChIKey is FIABRQQTCFGARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-2-30-16-18-8-6-17(7-9-18)15-25-23(29)26-20-14-19(22(24)28)10-11-21(20)27-12-4-3-5-13-27/h6-11,14H,2-5,12-13,15-16H2,1H3,(H2,24,28)(H2,25,26,29).
What are the key properties of 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide?
3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethoxymethyl)phenyl]methylcarbamoylamino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 48768021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).