N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide

C17H22ClFN2O3 — CID 56526866

IUPACN-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCCC1C1OCCO1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H22ClFN2O3/c18-12-4-5-14(13(19)11-12)20-16(22)6-8-21-7-2-1-3-15(21)17-23-9-10-24-17/h4-5,11,15,17H,1-3,6-10H2,(H,20,22)
InChIKeyOWPCTNJLEIIXDE-UHFFFAOYSA-N
MW356.83 g/mol
LogP3.04
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide

N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide (PubChem CID 56526866) has the molecular formula C17H22ClFN2O3 and a molecular weight of 356.83 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
PubChem CID56526866
Molecular FormulaC17H22ClFN2O3
Molecular Weight356.83 g/mol
Exact Mass356.13
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCCC1C1OCCO1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C17H22ClFN2O3/c18-12-4-5-14(13(19)11-12)20-16(22)6-8-21-7-2-1-3-15(21)17-23-9-10-24-17/h4-5,11,15,17H,1-3,6-10H2,(H,20,22)
InChIKeyOWPCTNJLEIIXDE-UHFFFAOYSA-N
XLogP3.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(2-fluorophenyl)propanamide
CID 100905129
3-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 51964095
N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501325
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-methylpiperidine-4-carboxamide
CID 24589415
N-(4-chloro-2-fluorophenyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 18133462
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 40952888
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
N-(2-fluorophenyl)-3-(2-formylpiperidin-1-yl)propanamide
CID 62654769
N-(4-chloro-2-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466914
N-[1-(4-chlorophenyl)ethyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501329
1-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 56525502

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide (CID 56526866) is N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide is O=C(CCN1CCCCC1C1OCCO1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
The InChIKey is OWPCTNJLEIIXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O3/c18-12-4-5-14(13(19)11-12)20-16(22)6-8-21-7-2-1-3-15(21)17-23-9-10-24-17/h4-5,11,15,17H,1-3,6-10H2,(H,20,22).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide has a molecular weight of 356.83 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56526866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).