N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide

C23H35N3O5 — CID 25279941

IUPACN-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc(OC)c1
InChIInChI=1S/C23H35N3O5/c1-29-20-14-19(15-21(16-20)30-2)24-22(27)8-7-18-6-5-10-25(17-18)23(28)9-12-26-11-3-4-13-31-26/h14-16,18H,3-13,17H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyXXJBSFJYNGGFRT-GOSISDBHSA-N
MW433.55 g/mol
LogP3.08
Rot. Bonds9

About N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide (PubChem CID 25279941) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide
PubChem CID25279941
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc(OC)c1
InChIInChI=1S/C23H35N3O5/c1-29-20-14-19(15-21(16-20)30-2)24-22(27)8-7-18-6-5-10-25(17-18)23(28)9-12-26-11-3-4-13-31-26/h14-16,18H,3-13,17H2,1-2H3,(H,24,27)/t18-/m1/s1
InChIKeyXXJBSFJYNGGFRT-GOSISDBHSA-N
XLogP3.08
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide with MolForge

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Related Compounds

methyl 4-[(3R)-3-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 25476827
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CID 45243662
N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
CID 72934496
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 42517122
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 45202621
3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26395981
3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26401672
2-chloro-N-[[(3S)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]methyl]benzamide
CID 26398170
methyl 5-[(3R)-3-[3-(4-methoxy-2-methylanilino)-3-oxopropyl]piperidin-1-yl]-5-oxopentanoate
CID 42558129
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 97281101
N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
1-[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide (CID 25279941) is N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide is COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)CCN3CCCCO3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide?
The InChIKey is XXJBSFJYNGGFRT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-29-20-14-19(15-21(16-20)30-2)24-22(27)8-7-18-6-5-10-25(17-18)23(28)9-12-26-11-3-4-13-31-26/h14-16,18H,3-13,17H2,1-2H3,(H,24,27)/t18-/m1/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide has a molecular weight of 433.55 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25279941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).