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

C23H29N3O4 — CID 42517122

IUPACN-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc(OC)c1
InChIInChI=1S/C23H29N3O4/c1-29-20-12-19(13-21(14-20)30-2)25-22(27)8-7-17-6-4-10-26(16-17)23(28)11-18-5-3-9-24-15-18/h3,5,9,12-15,17H,4,6-8,10-11,16H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyHKIYZRZVIPKFOP-QGZVFWFLSA-N
MW411.50 g/mol
LogP3.30
Rot. Bonds8

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

N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide (PubChem CID 42517122) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
PubChem CID42517122
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc(OC)c1
InChIInChI=1S/C23H29N3O4/c1-29-20-12-19(13-21(14-20)30-2)25-22(27)8-7-17-6-4-10-26(16-17)23(28)11-18-5-3-9-24-15-18/h3,5,9,12-15,17H,4,6-8,10-11,16H2,1-2H3,(H,25,27)/t17-/m1/s1
InChIKeyHKIYZRZVIPKFOP-QGZVFWFLSA-N
XLogP3.30
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
methyl 4-[(3R)-3-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 25476827
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide
CID 42533041
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45243662
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
3-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124688981
3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26395981
N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
CID 25289024
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide
CID 25279941
N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
CID 72934496
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 62371471

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide (CID 42517122) is N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide is COc1cc(NC(=O)CC[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
The InChIKey is HKIYZRZVIPKFOP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-29-20-12-19(13-21(14-20)30-2)25-22(27)8-7-17-6-4-10-26(16-17)23(28)11-18-5-3-9-24-15-18/h3,5,9,12-15,17H,4,6-8,10-11,16H2,1-2H3,(H,25,27)/t17-/m1/s1.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide has a molecular weight of 411.50 g/mol, XLogP of 3.30, 8 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-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42517122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).