N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide

C22H37N3O — CID 23723520

IUPACN-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide
SMILESCC(CCc1ccccc1)N1CCC(CCC(=O)NCCN(C)C)CC1
InChIInChI=1S/C22H37N3O/c1-19(9-10-20-7-5-4-6-8-20)25-16-13-21(14-17-25)11-12-22(26)23-15-18-24(2)3/h4-8,19,21H,9-18H2,1-3H3,(H,23,26)
InChIKeyMORWOEUQBSIBES-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.18
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide

N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide (PubChem CID 23723520) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide
PubChem CID23723520
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide
SMILESCC(CCc1ccccc1)N1CCC(CCC(=O)NCCN(C)C)CC1
InChIInChI=1S/C22H37N3O/c1-19(9-10-20-7-5-4-6-8-20)25-16-13-21(14-17-25)11-12-22(26)23-15-18-24(2)3/h4-8,19,21H,9-18H2,1-3H3,(H,23,26)
InChIKeyMORWOEUQBSIBES-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide (CID 23723520) is N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide is CC(CCc1ccccc1)N1CCC(CCC(=O)NCCN(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide?
The InChIKey is MORWOEUQBSIBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O/c1-19(9-10-20-7-5-4-6-8-20)25-16-13-21(14-17-25)11-12-22(26)23-15-18-24(2)3/h4-8,19,21H,9-18H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide?
N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide has a molecular weight of 359.56 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[1-(4-phenylbutan-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 23723520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).