3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide

C24H30ClN3O3 — CID 55945836

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)CC(NC(C)=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C24H30ClN3O3/c1-17(29)26-23(19-6-8-20(25)9-7-19)15-24(30)27-21-10-12-28(13-11-21)16-18-4-3-5-22(14-18)31-2/h3-9,14,21,23H,10-13,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHILRMQLKRWRXKY-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.70
Rot. Bonds8

About 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 55945836) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
PubChem CID55945836
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)CC(NC(C)=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C24H30ClN3O3/c1-17(29)26-23(19-6-8-20(25)9-7-19)15-24(30)27-21-10-12-28(13-11-21)16-18-4-3-5-22(14-18)31-2/h3-9,14,21,23H,10-13,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyHILRMQLKRWRXKY-UHFFFAOYSA-N
XLogP3.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide (CID 55945836) is 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide is COc1cccc(CN2CCC(NC(=O)CC(NC(C)=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is HILRMQLKRWRXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O3/c1-17(29)26-23(19-6-8-20(25)9-7-19)15-24(30)27-21-10-12-28(13-11-21)16-18-4-3-5-22(14-18)31-2/h3-9,14,21,23H,10-13,15-16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 443.98 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55945836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).