phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate

C21H25N3O3 — CID 110668148

IUPACphenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate
SMILESCCNC(=O)C1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-22-20(25)16-12-14-24(15-13-16)18-10-8-17(9-11-18)23-21(26)27-19-6-4-3-5-7-19/h3-11,16H,2,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyAEVZVLPINHYUCQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.65
Rot. Bonds5

About phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate

phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate (PubChem CID 110668148) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate
PubChem CID110668148
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namephenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate
SMILESCCNC(=O)C1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-2-22-20(25)16-12-14-24(15-13-16)18-10-8-17(9-11-18)23-21(26)27-19-6-4-3-5-7-19/h3-11,16H,2,12-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyAEVZVLPINHYUCQ-UHFFFAOYSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopropanecarbonylamino)phenyl]-N-ethylpiperidine-4-carboxamide
CID 110668128
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
phenyl N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamate
CID 7084930
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
[4-[4-[4-(phenoxycarbonylamino)phenyl]piperazin-1-yl]phenyl] acetate
CID 68857508
phenyl N-[4-[4-(2-ethyl-4,6-dimethylbenzene-3,5-diid-1-yl)piperazin-1-yl]phenyl]carbamate;tris(yttrium)
CID 59119293
phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
CID 110425242
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
CID 172634540
ethyl 4-[(4-pyrrolidin-1-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 41491893
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate?
The IUPAC name of phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate (CID 110668148) is phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate.
What is the SMILES notation for phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate?
The canonical SMILES for phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate is CCNC(=O)C1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1.
What is the InChIKey of phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate?
The InChIKey is AEVZVLPINHYUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-22-20(25)16-12-14-24(15-13-16)18-10-8-17(9-11-18)23-21(26)27-19-6-4-3-5-7-19/h3-11,16H,2,12-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate?
phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-[4-(ethylcarbamoyl)piperidin-1-yl]phenyl]carbamate is sourced from PubChem (CID 110668148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).