3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C23H35F2N3O2 — CID 42394249

IUPAC3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccccc3OC(F)F)C2)CC1
InChIInChI=1S/C23H35F2N3O2/c1-26-14-11-20(12-15-26)27(2)22(29)10-9-18-6-5-13-28(16-18)17-19-7-3-4-8-21(19)30-23(24)25/h3-4,7-8,18,20,23H,5-6,9-17H2,1-2H3/t18-/m0/s1
InChIKeyKZXLZAOUTRRLDT-SFHVURJKSA-N
MW423.55 g/mol
LogP3.83
Rot. Bonds8

About 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 42394249) has the molecular formula C23H35F2N3O2 and a molecular weight of 423.55 g/mol. Its IUPAC name is 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID42394249
Molecular FormulaC23H35F2N3O2
Molecular Weight423.55 g/mol
Exact Mass423.27
IUPAC Name3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccccc3OC(F)F)C2)CC1
InChIInChI=1S/C23H35F2N3O2/c1-26-14-11-20(12-15-26)27(2)22(29)10-9-18-6-5-13-28(16-18)17-19-7-3-4-8-21(19)30-23(24)25/h3-4,7-8,18,20,23H,5-6,9-17H2,1-2H3/t18-/m0/s1
InChIKeyKZXLZAOUTRRLDT-SFHVURJKSA-N
XLogP3.83
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45186883
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42116162
N-methyl-N-(1-methylpiperidin-4-yl)-3-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45169935
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42360456
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
3-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42594098
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25456108

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 42394249) is 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3ccccc3OC(F)F)C2)CC1.
What is the InChIKey of 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is KZXLZAOUTRRLDT-SFHVURJKSA-N. The full InChI is InChI=1S/C23H35F2N3O2/c1-26-14-11-20(12-15-26)27(2)22(29)10-9-18-6-5-13-28(16-18)17-19-7-3-4-8-21(19)30-23(24)25/h3-4,7-8,18,20,23H,5-6,9-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 423.55 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 42394249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).