3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

C22H27N5O3 — CID 50846126

IUPAC3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1
InChIInChI=1S/C22H27N5O3/c1-2-23-20(28)16-7-6-14-27(15-16)22(30)26-19-12-10-18(11-13-19)25-21(29)24-17-8-4-3-5-9-17/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,23,28)(H,26,30)(H2,24,25,29)
InChIKeyDWDNJSBWWDGDHO-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.71
Rot. Bonds5

About 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 50846126) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
PubChem CID50846126
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1
InChIInChI=1S/C22H27N5O3/c1-2-23-20(28)16-7-6-14-27(15-16)22(30)26-19-12-10-18(11-13-19)25-21(29)24-17-8-4-3-5-9-17/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,23,28)(H,26,30)(H2,24,25,29)
InChIKeyDWDNJSBWWDGDHO-UHFFFAOYSA-N
XLogP3.71
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
CID 95116259
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 50845712
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-N-[(2R)-2-(ethylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 120650058
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
2-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119223360

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (CID 50846126) is 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is CCNC(=O)C1CCCN(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)C1.
What is the InChIKey of 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is DWDNJSBWWDGDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-2-23-20(28)16-7-6-14-27(15-16)22(30)26-19-12-10-18(11-13-19)25-21(29)24-17-8-4-3-5-9-17/h3-5,8-13,16H,2,6-7,14-15H2,1H3,(H,23,28)(H,26,30)(H2,24,25,29).
What are the key properties of 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 50846126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).