N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide

C14H17ClF2N2O2 — CID 62675986

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H17ClF2N2O2/c15-11-7-10(3-4-12(11)21-14(16)17)19-13(20)6-9-2-1-5-18-8-9/h3-4,7,9,14,18H,1-2,5-6,8H2,(H,19,20)
InChIKeyRWLSBHVHIISRAT-UHFFFAOYSA-N
MW318.75 g/mol
LogP3.27
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide (PubChem CID 62675986) has the molecular formula C14H17ClF2N2O2 and a molecular weight of 318.75 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
PubChem CID62675986
Molecular FormulaC14H17ClF2N2O2
Molecular Weight318.75 g/mol
Exact Mass318.09
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide
SMILESO=C(CC1CCCNC1)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H17ClF2N2O2/c15-11-7-10(3-4-12(11)21-14(16)17)19-13(20)6-9-2-1-5-18-8-9/h3-4,7,9,14,18H,1-2,5-6,8H2,(H,19,20)
InChIKeyRWLSBHVHIISRAT-UHFFFAOYSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
3-chloro-4-(difluoromethoxy)-N-(piperidin-3-ylmethyl)aniline
CID 80553653
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(6-oxopiperidin-2-yl)acetamide
CID 146132092
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
CID 62676837
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
tert-butyl 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]piperidine-1-carboxylate
CID 60596124
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-piperidin-3-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167977724
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
CID 119556038

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide (CID 62675986) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide is O=C(CC1CCCNC1)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide?
The InChIKey is RWLSBHVHIISRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O2/c15-11-7-10(3-4-12(11)21-14(16)17)19-13(20)6-9-2-1-5-18-8-9/h3-4,7,9,14,18H,1-2,5-6,8H2,(H,19,20).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide has a molecular weight of 318.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62675986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).