4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one

C21H34N2O3 — CID 19872420

IUPAC4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESCCN(CCCC(=O)N1CCC(O)CC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H34N2O3/c1-4-22(17(2)16-18-7-9-20(26-3)10-8-18)13-5-6-21(25)23-14-11-19(24)12-15-23/h7-10,17,19,24H,4-6,11-16H2,1-3H3
InChIKeyNDEZTTDQDMHBTD-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.71
Rot. Bonds9

About 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one

4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one (PubChem CID 19872420) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
PubChem CID19872420
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
SMILESCCN(CCCC(=O)N1CCC(O)CC1)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C21H34N2O3/c1-4-22(17(2)16-18-7-9-20(26-3)10-8-18)13-5-6-21(25)23-14-11-19(24)12-15-23/h7-10,17,19,24H,4-6,11-16H2,1-3H3
InChIKeyNDEZTTDQDMHBTD-UHFFFAOYSA-N
XLogP2.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclopropyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 19872408
1-(4-benzoylpiperazin-1-yl)-4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-one
CID 19872439
ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410
propan-2-yl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 54252796
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-piperidin-1-ylbutane-1-thione
CID 19872421
[4-[(2S)-2-[[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-4-oxobutyl]-ethylamino]propyl]phenyl] benzoate
CID 18637059
2-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-morpholin-4-ylethanone
CID 56784565
7-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]heptanoic acid;hydrochloride
CID 70613084
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
1-[4-[1-(1-benzothiophen-5-yl)propan-2-yl-ethylamino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 19872415
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 115966191

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The IUPAC name of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one (CID 19872420) is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one is CCN(CCCC(=O)N1CCC(O)CC1)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one?
The InChIKey is NDEZTTDQDMHBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-4-22(17(2)16-18-7-9-20(26-3)10-8-18)13-5-6-21(25)23-14-11-19(24)12-15-23/h7-10,17,19,24H,4-6,11-16H2,1-3H3.
What are the key properties of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one?
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one has a molecular weight of 362.51 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(4-hydroxypiperidin-1-yl)butan-1-one is sourced from PubChem (CID 19872420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).