N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide

C17H23F2N3O3 — CID 119405060

IUPACN-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
SMILESNCCCNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C17H23F2N3O3/c18-17(19)25-14-7-2-1-6-13(14)16(24)22-10-3-5-12(11-22)15(23)21-9-4-8-20/h1-2,6-7,12,17H,3-5,8-11,20H2,(H,21,23)
InChIKeyHKQPFLKIXMAWSM-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.61
Rot. Bonds7

About N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide

N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide (PubChem CID 119405060) has the molecular formula C17H23F2N3O3 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
PubChem CID119405060
Molecular FormulaC17H23F2N3O3
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC NameN-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
SMILESNCCCNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C17H23F2N3O3/c18-17(19)25-14-7-2-1-6-13(14)16(24)22-10-3-5-12(11-22)15(23)21-9-4-8-20/h1-2,6-7,12,17H,3-5,8-11,20H2,(H,21,23)
InChIKeyHKQPFLKIXMAWSM-UHFFFAOYSA-N
XLogP1.61
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 60610187
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
CID 55638063
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 60611629
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56557781
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide (CID 119405060) is N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide is NCCCNC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
The InChIKey is HKQPFLKIXMAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3/c18-17(19)25-14-7-2-1-6-13(14)16(24)22-10-3-5-12(11-22)15(23)21-9-4-8-20/h1-2,6-7,12,17H,3-5,8-11,20H2,(H,21,23).
What are the key properties of N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide?
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119405060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).