1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine

C23H45N5 — CID 138648074

IUPAC1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine
SMILESCC(CC1CC(N2CCN(C)CC2)CN1C(C)C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C23H45N5/c1-19(2)28-18-23(26-13-11-24(4)12-14-26)16-22(28)15-20(3)27-10-7-21(17-27)25-8-5-6-9-25/h19-23H,5-18H2,1-4H3
InChIKeyHOGMXQPKOKUWDY-UHFFFAOYSA-N
MW391.65 g/mol
LogP2.03
Rot. Bonds6

About 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine

1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine (PubChem CID 138648074) has the molecular formula C23H45N5 and a molecular weight of 391.65 g/mol. Its IUPAC name is 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine
PubChem CID138648074
Molecular FormulaC23H45N5
Molecular Weight391.65 g/mol
Exact Mass391.37
IUPAC Name1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine
SMILESCC(CC1CC(N2CCN(C)CC2)CN1C(C)C)N1CCC(N2CCCC2)C1
InChIInChI=1S/C23H45N5/c1-19(2)28-18-23(26-13-11-24(4)12-14-26)16-22(28)15-20(3)27-10-7-21(17-27)25-8-5-6-9-25/h19-23H,5-18H2,1-4H3
InChIKeyHOGMXQPKOKUWDY-UHFFFAOYSA-N
XLogP2.03
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.65
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine (CID 138648074) is 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine is CC(CC1CC(N2CCN(C)CC2)CN1C(C)C)N1CCC(N2CCCC2)C1.
What is the InChIKey of 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine?
The InChIKey is HOGMXQPKOKUWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5/c1-19(2)28-18-23(26-13-11-24(4)12-14-26)16-22(28)15-20(3)27-10-7-21(17-27)25-8-5-6-9-25/h19-23H,5-18H2,1-4H3.
What are the key properties of 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine?
1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine has a molecular weight of 391.65 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-propan-2-yl-5-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 138648074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).