N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide

C24H31FN2O4 — CID 25457122

IUPACN-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)cc(OC)c1
InChIInChI=1S/C24H31FN2O4/c1-29-20-12-19(13-21(14-20)30-2)26-24(28)9-7-17-5-4-10-27(15-17)16-18-6-8-22(25)23(11-18)31-3/h6,8,11-14,17H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28)/t17-/m0/s1
InChIKeyMSRNULIQIBVDIP-KRWDZBQOSA-N
MW430.52 g/mol
LogP4.48
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 25457122) has the molecular formula C24H31FN2O4 and a molecular weight of 430.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID25457122
Molecular FormulaC24H31FN2O4
Molecular Weight430.52 g/mol
Exact Mass430.23
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)cc(OC)c1
InChIInChI=1S/C24H31FN2O4/c1-29-20-12-19(13-21(14-20)30-2)26-24(28)9-7-17-5-4-10-27(15-17)16-18-6-8-22(25)23(11-18)31-3/h6,8,11-14,17H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28)/t17-/m0/s1
InChIKeyMSRNULIQIBVDIP-KRWDZBQOSA-N
XLogP4.48
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26401672
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26327141
N-[(2-chlorophenyl)methyl]-3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45248790
N-[(3,4-difluorophenyl)methyl]-3-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
CID 42395779
methyl 4-[[(3R)-3-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate
CID 26323020
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42343520
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 45202621
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
3-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 26412854
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
methyl 4-[(3R)-3-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 25476827

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 25457122) is N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide is COc1cc(NC(=O)CC[C@@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is MSRNULIQIBVDIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31FN2O4/c1-29-20-12-19(13-21(14-20)30-2)26-24(28)9-7-17-5-4-10-27(15-17)16-18-6-8-22(25)23(11-18)31-3/h6,8,11-14,17H,4-5,7,9-10,15-16H2,1-3H3,(H,26,28)/t17-/m0/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 430.52 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25457122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).