5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide

C23H28F2N4O2 — CID 1067019

IUPAC5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H28F2N4O2/c1-3-28(4-2)22(30)18-14-16(9-11-21(18)29-12-6-5-7-13-29)26-23(31)27-17-8-10-19(24)20(25)15-17/h8-11,14-15H,3-7,12-13H2,1-2H3,(H2,26,27,31)
InChIKeyZBRLORUOKSJGFU-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.08
Rot. Bonds6

About 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide

5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide (PubChem CID 1067019) has the molecular formula C23H28F2N4O2 and a molecular weight of 430.50 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
PubChem CID1067019
Molecular FormulaC23H28F2N4O2
Molecular Weight430.50 g/mol
Exact Mass430.22
IUPAC Name5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H28F2N4O2/c1-3-28(4-2)22(30)18-14-16(9-11-21(18)29-12-6-5-7-13-29)26-23(31)27-17-8-10-19(24)20(25)15-17/h8-11,14-15H,3-7,12-13H2,1-2H3,(H2,26,27,31)
InChIKeyZBRLORUOKSJGFU-UHFFFAOYSA-N
XLogP5.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066998
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
5-[(4-bromophenyl)carbamoylamino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1067188
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066011
N,N-diethyl-5-[(2-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1067210
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
1,1-diethyl-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)urea
CID 47264836
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
CID 1066015
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide (CID 1067019) is 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)Nc2ccc(F)c(F)c2)ccc1N1CCCCC1.
What is the InChIKey of 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
The InChIKey is ZBRLORUOKSJGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O2/c1-3-28(4-2)22(30)18-14-16(9-11-21(18)29-12-6-5-7-13-29)26-23(31)27-17-8-10-19(24)20(25)15-17/h8-11,14-15H,3-7,12-13H2,1-2H3,(H2,26,27,31).
What are the key properties of 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide?
5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide has a molecular weight of 430.50 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1067019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).