1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one

C20H38N4O2 — CID 164926799

IUPAC1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(CCC(C)N2CCCC(N3CCOCC3)C2)C(=O)C1
InChIInChI=1S/C20H38N4O2/c1-17(2)23-10-9-22(20(25)16-23)8-6-18(3)24-7-4-5-19(15-24)21-11-13-26-14-12-21/h17-19H,4-16H2,1-3H3
InChIKeyYEJDODNWZZHAQI-UHFFFAOYSA-N
MW366.55 g/mol
LogP1.11
Rot. Bonds6

About 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one

1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one (PubChem CID 164926799) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
PubChem CID164926799
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(CCC(C)N2CCCC(N3CCOCC3)C2)C(=O)C1
InChIInChI=1S/C20H38N4O2/c1-17(2)23-10-9-22(20(25)16-23)8-6-18(3)24-7-4-5-19(15-24)21-11-13-26-14-12-21/h17-19H,4-16H2,1-3H3
InChIKeyYEJDODNWZZHAQI-UHFFFAOYSA-N
XLogP1.11
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-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-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
2-(6-methylheptan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939156
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
2-ethyl-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-one
CID 130927080
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)butanenitrile
CID 62111995
1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
CID 176796740

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one?
The IUPAC name of 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one (CID 164926799) is 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one?
The canonical SMILES for 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one is CC(C)N1CCN(CCC(C)N2CCCC(N3CCOCC3)C2)C(=O)C1.
What is the InChIKey of 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one?
The InChIKey is YEJDODNWZZHAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-17(2)23-10-9-22(20(25)16-23)8-6-18(3)24-7-4-5-19(15-24)21-11-13-26-14-12-21/h17-19H,4-16H2,1-3H3.
What are the key properties of 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one?
1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one has a molecular weight of 366.55 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 164926799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).