ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate

C23H29N3O3 — CID 9069273

IUPACethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-2-29-23(28)25-21-12-8-11-18(15-21)22(27)24-16-19-9-4-5-10-20(19)17-26-13-6-3-7-14-26/h4-5,8-12,15H,2-3,6-7,13-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyZZIOYZICIAKMGI-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.17
Rot. Bonds7

About ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate

ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate (PubChem CID 9069273) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate
PubChem CID9069273
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1
InChIInChI=1S/C23H29N3O3/c1-2-29-23(28)25-21-12-8-11-18(15-21)22(27)24-16-19-9-4-5-10-20(19)17-26-13-6-3-7-14-26/h4-5,8-12,15H,2-3,6-7,13-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyZZIOYZICIAKMGI-UHFFFAOYSA-N
XLogP4.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650150
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024
3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46466905
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 38740355
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
ethyl N-[3-[methyl-[(2-piperidin-1-ylphenyl)methyl]carbamoyl]phenyl]carbamate
CID 24551621
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714267
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
3-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55882954
1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 18119095
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-iodobenzamide
CID 55664630

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate (CID 9069273) is ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)NCc2ccccc2CN2CCCCC2)c1.
What is the InChIKey of ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
The InChIKey is ZZIOYZICIAKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-23(28)25-21-12-8-11-18(15-21)22(27)24-16-19-9-4-5-10-20(19)17-26-13-6-3-7-14-26/h4-5,8-12,15H,2-3,6-7,13-14,16-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate?
ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 9069273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).