N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide

C22H34N4O3 — CID 86904519

IUPACN-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
SMILESCCN(C(=O)C(C)N1CCN(C(C)C(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N4O3/c1-4-26(20-8-6-5-7-9-20)22(28)19(3)24-12-10-23(11-13-24)18(2)21(27)25-14-16-29-17-15-25/h5-9,18-19H,4,10-17H2,1-3H3
InChIKeyRRVODUSSYHPEIL-UHFFFAOYSA-N
MW402.54 g/mol
LogP1.29
Rot. Bonds6

About N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide

N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 86904519) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID86904519
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide
SMILESCCN(C(=O)C(C)N1CCN(C(C)C(=O)N2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N4O3/c1-4-26(20-8-6-5-7-9-20)22(28)19(3)24-12-10-23(11-13-24)18(2)21(27)25-14-16-29-17-15-25/h5-9,18-19H,4,10-17H2,1-3H3
InChIKeyRRVODUSSYHPEIL-UHFFFAOYSA-N
XLogP1.29
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-ethyl-2-(4-hydroxypiperidin-1-yl)-N-phenylpropanamide
CID 94333132
N-ethyl-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-phenylpropanamide
CID 111489569
N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881386
(2S)-N-ethyl-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 8595023
1-[1-(N-ethylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119906953
(2S)-N-ethyl-4-methyl-2-(morpholin-4-ylamino)-N-phenylpentanamide
CID 69222569
(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 8690029
(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95303672
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
CID 8799927
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]acetamide
CID 86904501
1-morpholin-4-yl-2-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 126820172
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide (CID 86904519) is N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide is CCN(C(=O)C(C)N1CCN(C(C)C(=O)N2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is RRVODUSSYHPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-4-26(20-8-6-5-7-9-20)22(28)19(3)24-12-10-23(11-13-24)18(2)21(27)25-14-16-29-17-15-25/h5-9,18-19H,4,10-17H2,1-3H3.
What are the key properties of N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide?
N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 402.54 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 86904519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).