N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide

C21H27N3O4 — CID 72897212

IUPACN-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-27-17-4-5-18(19(13-17)28-2)23-20(25)6-3-15-8-11-24(12-9-15)21(26)16-7-10-22-14-16/h4-5,7,10,13-15,22H,3,6,8-9,11-12H2,1-2H3,(H,23,25)
InChIKeyPZMOFJBUAMINKY-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.30
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 72897212) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID72897212
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O4/c1-27-17-4-5-18(19(13-17)28-2)23-20(25)6-3-15-8-11-24(12-9-15)21(26)16-7-10-22-14-16/h4-5,7,10,13-15,22H,3,6,8-9,11-12H2,1-2H3,(H,23,25)
InChIKeyPZMOFJBUAMINKY-UHFFFAOYSA-N
XLogP3.30
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
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3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
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CID 110815460
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1-(2,4-dimethoxyphenyl)-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
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N-(2,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210492
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
CID 26395249
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide (CID 72897212) is N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide is COc1ccc(NC(=O)CCC2CCN(C(=O)c3cc[nH]c3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is PZMOFJBUAMINKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-27-17-4-5-18(19(13-17)28-2)23-20(25)6-3-15-8-11-24(12-9-15)21(26)16-7-10-22-14-16/h4-5,7,10,13-15,22H,3,6,8-9,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 385.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72897212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).