N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide

C22H31N3O5 — CID 45243662

IUPACN-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CCC2CCCN(C(=O)CN3CCCC3=O)C2)cc(OC)c1
InChIInChI=1S/C22H31N3O5/c1-29-18-11-17(12-19(13-18)30-2)23-20(26)8-7-16-5-3-9-24(14-16)22(28)15-25-10-4-6-21(25)27/h11-13,16H,3-10,14-15H2,1-2H3,(H,23,26)
InChIKeyRZMYRNCALDQYEK-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.28
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 45243662) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
PubChem CID45243662
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
SMILESCOc1cc(NC(=O)CCC2CCCN(C(=O)CN3CCCC3=O)C2)cc(OC)c1
InChIInChI=1S/C22H31N3O5/c1-29-18-11-17(12-19(13-18)30-2)23-20(26)8-7-16-5-3-9-24(14-16)22(28)15-25-10-4-6-21(25)27/h11-13,16H,3-10,14-15H2,1-2H3,(H,23,26)
InChIKeyRZMYRNCALDQYEK-UHFFFAOYSA-N
XLogP2.28
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25284111
methyl 4-[(3R)-3-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 25476827
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide
CID 25279941
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
N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
CID 72934496
3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26401672
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 25486961
N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45207506

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide (CID 45243662) is N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide is COc1cc(NC(=O)CCC2CCCN(C(=O)CN3CCCC3=O)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide?
The InChIKey is RZMYRNCALDQYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-29-18-11-17(12-19(13-18)30-2)23-20(26)8-7-16-5-3-9-24(14-16)22(28)15-25-10-4-6-21(25)27/h11-13,16H,3-10,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 2.28, 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-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45243662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).