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

C23H29FN4O2 — CID 1066998

IUPACN,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H29FN4O2/c1-3-27(4-2)22(29)20-16-19(11-12-21(20)28-13-6-5-7-14-28)26-23(30)25-18-10-8-9-17(24)15-18/h8-12,15-16H,3-7,13-14H2,1-2H3,(H2,25,26,30)
InChIKeyJHNIUDKRBNNJDN-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.94
Rot. Bonds6

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

N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (PubChem CID 1066998) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
PubChem CID1066998
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
SMILESCCN(CC)C(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H29FN4O2/c1-3-27(4-2)22(29)20-16-19(11-12-21(20)28-13-6-5-7-14-28)26-23(30)25-18-10-8-9-17(24)15-18/h8-12,15-16H,3-7,13-14H2,1-2H3,(H2,25,26,30)
InChIKeyJHNIUDKRBNNJDN-UHFFFAOYSA-N
XLogP4.94
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.94
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-[(3,4-difluorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1067019
N,N-diethyl-5-[(4-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066991
5-[(4-chlorophenyl)carbamoylamino]-N,N-diethyl-2-piperidin-1-ylbenzamide
CID 1066980
5-[(3-fluorophenyl)carbamoylamino]-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 4579577
5-[(4-bromophenyl)carbamoylamino]-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 1067188
N-[(2S)-butan-2-yl]-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065117
N,N-diethyl-5-[(2-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1067210
5-benzamido-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 42757077
N-[3-(diethylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 1066031
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
2-(dimethylamino)-N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]benzamide
CID 42747819
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide (CID 1066998) is N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is CCN(CC)C(=O)c1cc(NC(=O)Nc2cccc(F)c2)ccc1N1CCCCC1.
What is the InChIKey of N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
The InChIKey is JHNIUDKRBNNJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-3-27(4-2)22(29)20-16-19(11-12-21(20)28-13-6-5-7-14-28)26-23(30)25-18-10-8-9-17(24)15-18/h8-12,15-16H,3-7,13-14H2,1-2H3,(H2,25,26,30).
What are the key properties of N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide?
N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide has a molecular weight of 412.51 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(3-fluorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1066998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).