3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one

C17H25N5O — CID 171475046

IUPAC3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCCNC2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C17H25N5O/c1-20-16-14(21-10-8-18-9-11-21)5-2-6-15(16)22(17(20)23)13-4-3-7-19-12-13/h2,5-6,13,18-19H,3-4,7-12H2,1H3
InChIKeyNCAFUXJWELIXLE-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.67
Rot. Bonds2

About 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one

3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one (PubChem CID 171475046) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
PubChem CID171475046
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CCCNC2)c2cccc(N3CCNCC3)c21
InChIInChI=1S/C17H25N5O/c1-20-16-14(21-10-8-18-9-11-21)5-2-6-15(16)22(17(20)23)13-4-3-7-19-12-13/h2,5-6,13,18-19H,3-4,7-12H2,1H3
InChIKeyNCAFUXJWELIXLE-UHFFFAOYSA-N
XLogP0.67
TPSA54.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(3-methyl-2-oxo-4-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567416
8-methoxy-1-methyl-3-piperidin-3-ylquinazoline-2,4-dione
CID 117263164
1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
3-(azepan-3-yl)-5-methoxy-1-methylquinazoline-2,4-dione
CID 117262138
3-[4-(2,8-diazaspiro[4.5]decan-2-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 178005451
3-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,4-dione
CID 155437521
1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
CID 141196674
1-methyl-5-piperazin-1-ylquinolin-2-one
CID 82279962
5-(12-aminododecyl)-3-methyl-1-piperidin-3-ylbenzimidazol-2-one
CID 171475017
1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]azetidine-3-carbaldehyde
CID 166537251
3-methyl-1-piperazin-2-yl-4-piperidin-4-ylbenzimidazol-2-one
CID 175089571
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
The IUPAC name of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one (CID 171475046) is 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one.
What is the SMILES notation for 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
The canonical SMILES for 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one is Cn1c(=O)n(C2CCCNC2)c2cccc(N3CCNCC3)c21.
What is the InChIKey of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
The InChIKey is NCAFUXJWELIXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-20-16-14(21-10-8-18-9-11-21)5-2-6-15(16)22(17(20)23)13-4-3-7-19-12-13/h2,5-6,13,18-19H,3-4,7-12H2,1H3.
What are the key properties of 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one?
3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one has a molecular weight of 315.42 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperazin-1-yl-1-piperidin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 171475046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).