[4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone

C24H40N4O2 — CID 166181835

IUPAC[4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCN(CC3CN(C(C)C)CCO3)CC2)cc1
InChIInChI=1S/C24H40N4O2/c1-5-25(6-2)17-21-7-9-22(10-8-21)24(29)27-13-11-26(12-14-27)18-23-19-28(20(3)4)15-16-30-23/h7-10,20,23H,5-6,11-19H2,1-4H3
InChIKeyRTFZDKZDKSAFAK-UHFFFAOYSA-N
MW416.61 g/mol
LogP2.40
Rot. Bonds8

About [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone

[4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 166181835) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID166181835
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name[4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCCN(CC)Cc1ccc(C(=O)N2CCN(CC3CN(C(C)C)CCO3)CC2)cc1
InChIInChI=1S/C24H40N4O2/c1-5-25(6-2)17-21-7-9-22(10-8-21)24(29)27-13-11-26(12-14-27)18-23-19-28(20(3)4)15-16-30-23/h7-10,20,23H,5-6,11-19H2,1-4H3
InChIKeyRTFZDKZDKSAFAK-UHFFFAOYSA-N
XLogP2.40
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylfuran-2-yl)-[4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 124609048
(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 124609049
4-[[ethyl-[(4-propan-2-ylmorpholin-2-yl)methyl]amino]methyl]aniline
CID 64532725
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
(4-methylphenyl)-[4-[[(2S)-4-(thiophen-3-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 92989700
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrole-3-carboxylic acid
CID 79104478
[4-[[(2S)-4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92989684
[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 119903128
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
CID 124565728
2-[[4-(2-bromoethyl)-1,4-diazepan-1-yl]methyl]-4-propan-2-ylmorpholine
CID 80667744
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79108030

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone (CID 166181835) is [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone is CCN(CC)Cc1ccc(C(=O)N2CCN(CC3CN(C(C)C)CCO3)CC2)cc1.
What is the InChIKey of [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is RTFZDKZDKSAFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-5-25(6-2)17-21-7-9-22(10-8-21)24(29)27-13-11-26(12-14-27)18-23-19-28(20(3)4)15-16-30-23/h7-10,20,23H,5-6,11-19H2,1-4H3.
What are the key properties of [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone?
[4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 416.61 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)phenyl]-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 166181835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).