N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C16H19ClF3N3O2 — CID 42955553

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCC(C(F)(F)F)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClF3N3O2/c17-13-5-3-11(4-6-13)14(24)21-7-8-22-15(25)23-9-1-2-12(10-23)16(18,19)20/h3-6,12H,1-2,7-10H2,(H,21,24)(H,22,25)
InChIKeyUXZWBKIMNPJKMI-UHFFFAOYSA-N
MW377.79 g/mol
LogP3.05
Rot. Bonds4

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 42955553) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID42955553
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCC(C(F)(F)F)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClF3N3O2/c17-13-5-3-11(4-6-13)14(24)21-7-8-22-15(25)23-9-1-2-12(10-23)16(18,19)20/h3-6,12H,1-2,7-10H2,(H,21,24)(H,22,25)
InChIKeyUXZWBKIMNPJKMI-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 75405079
N-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 41441224
[4-(chloromethyl)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918116
(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(3R)-3-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 51944575
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 94172258
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
1-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451731
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 42955553) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide is O=C(NCCNC(=O)N1CCCC(C(F)(F)F)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is UXZWBKIMNPJKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2/c17-13-5-3-11(4-6-13)14(24)21-7-8-22-15(25)23-9-1-2-12(10-23)16(18,19)20/h3-6,12H,1-2,7-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 377.79 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 42955553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).