[4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

C26H43N5O — CID 118758237

IUPAC[4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCC(N4CCC(N(CC)CC)C4)CC3)cc2)CC1
InChIInChI=1S/C26H43N5O/c1-4-27-17-19-30(20-18-27)26(32)22-7-9-23(10-8-22)29-14-11-24(12-15-29)31-16-13-25(21-31)28(5-2)6-3/h7-10,24-25H,4-6,11-21H2,1-3H3
InChIKeyRXXJIBCAOVUJDZ-UHFFFAOYSA-N
MW441.66 g/mol
LogP2.85
Rot. Bonds7

About [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone

[4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 118758237) has the molecular formula C26H43N5O and a molecular weight of 441.66 g/mol. Its IUPAC name is [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID118758237
Molecular FormulaC26H43N5O
Molecular Weight441.66 g/mol
Exact Mass441.35
IUPAC Name[4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(N3CCC(N4CCC(N(CC)CC)C4)CC3)cc2)CC1
InChIInChI=1S/C26H43N5O/c1-4-27-17-19-30(20-18-27)26(32)22-7-9-23(10-8-22)29-14-11-24(12-15-29)31-16-13-25(21-31)28(5-2)6-3/h7-10,24-25H,4-6,11-21H2,1-3H3
InChIKeyRXXJIBCAOVUJDZ-UHFFFAOYSA-N
XLogP2.85
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
[1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881411
[4-(4-ethylpiperazin-1-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124684035
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412
[3-(diethylamino)pyrrolidin-1-yl]-(4-sulfanylphenyl)methanone
CID 107029366
(4-tert-butylphenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 110440237
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 42278318
[4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 26276510
(4-tert-butylphenyl)-[(3S)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]methanone
CID 95309072
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120819644

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone (CID 118758237) is [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(N3CCC(N4CCC(N(CC)CC)C4)CC3)cc2)CC1.
What is the InChIKey of [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RXXJIBCAOVUJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O/c1-4-27-17-19-30(20-18-27)26(32)22-7-9-23(10-8-22)29-14-11-24(12-15-29)31-16-13-25(21-31)28(5-2)6-3/h7-10,24-25H,4-6,11-21H2,1-3H3.
What are the key properties of [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone?
[4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 441.66 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(diethylamino)pyrrolidin-1-yl]piperidin-1-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 118758237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).