N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide

C19H37N5O2 — CID 154271776

IUPACN,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCCCN(CCCC)C(=O)N1CCN(CCN2CCN(C)C2=O)CC1
InChIInChI=1S/C19H37N5O2/c1-4-6-8-22(9-7-5-2)19(26)24-16-12-21(13-17-24)11-15-23-14-10-20(3)18(23)25/h4-17H2,1-3H3
InChIKeyGYMMRYFVRXNIRB-UHFFFAOYSA-N
MW367.54 g/mol
LogP1.99
Rot. Bonds9

About N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide

N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 154271776) has the molecular formula C19H37N5O2 and a molecular weight of 367.54 g/mol. Its IUPAC name is N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID154271776
Molecular FormulaC19H37N5O2
Molecular Weight367.54 g/mol
Exact Mass367.29
IUPAC NameN,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCCCN(CCCC)C(=O)N1CCN(CCN2CCN(C)C2=O)CC1
InChIInChI=1S/C19H37N5O2/c1-4-6-8-22(9-7-5-2)19(26)24-16-12-21(13-17-24)11-15-23-14-10-20(3)18(23)25/h4-17H2,1-3H3
InChIKeyGYMMRYFVRXNIRB-UHFFFAOYSA-N
XLogP1.99
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide (CID 154271776) is N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide is CCCCN(CCCC)C(=O)N1CCN(CCN2CCN(C)C2=O)CC1.
What is the InChIKey of N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is GYMMRYFVRXNIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O2/c1-4-6-8-22(9-7-5-2)19(26)24-16-12-21(13-17-24)11-15-23-14-10-20(3)18(23)25/h4-17H2,1-3H3.
What are the key properties of N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 367.54 g/mol, XLogP of 1.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 154271776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).