3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide

C22H34FN3O — CID 42360456

IUPAC3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H34FN3O/c1-24-13-10-21(11-14-24)25(2)22(27)9-8-18-6-4-12-26(16-18)17-19-5-3-7-20(23)15-19/h3,5,7,15,18,21H,4,6,8-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyXZEUBDSFLVVPGD-SFHVURJKSA-N
MW375.53 g/mol
LogP3.37
Rot. Bonds6

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

3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 42360456) has the molecular formula C22H34FN3O and a molecular weight of 375.53 g/mol. Its IUPAC name is 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID42360456
Molecular FormulaC22H34FN3O
Molecular Weight375.53 g/mol
Exact Mass375.27
IUPAC Name3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C22H34FN3O/c1-24-13-10-21(11-14-24)25(2)22(27)9-8-18-6-4-12-26(16-18)17-19-5-3-7-20(23)15-19/h3,5,7,15,18,21H,4,6,8-14,16-17H2,1-2H3/t18-/m0/s1
InChIKeyXZEUBDSFLVVPGD-SFHVURJKSA-N
XLogP3.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42394249
3-[(3S)-1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25456108
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-[(3R)-1-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42594098
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3S)-1-(5-phenylpentanoyl)piperidin-3-yl]propanamide
CID 42378388
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 42360456) is 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(N(C)C(=O)CC[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1.
What is the InChIKey of 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is XZEUBDSFLVVPGD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H34FN3O/c1-24-13-10-21(11-14-24)25(2)22(27)9-8-18-6-4-12-26(16-18)17-19-5-3-7-20(23)15-19/h3,5,7,15,18,21H,4,6,8-14,16-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide?
3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 375.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 42360456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).