N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide

C19H34N4O3 — CID 75473864

IUPACN-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C19H34N4O3/c1-2-3-8-20-19(25)22-12-10-21(11-13-22)17-5-4-9-23(18(17)24)16-6-14-26-15-7-16/h16-17H,2-15H2,1H3,(H,20,25)
InChIKeyKOKFVFFLPKUVAW-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.28
Rot. Bonds5

About N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide

N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide (PubChem CID 75473864) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
PubChem CID75473864
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC NameN-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(C2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C19H34N4O3/c1-2-3-8-20-19(25)22-12-10-21(11-13-22)17-5-4-9-23(18(17)24)16-6-14-26-15-7-16/h16-17H,2-15H2,1H3,(H,20,25)
InChIKeyKOKFVFFLPKUVAW-UHFFFAOYSA-N
XLogP1.28
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide (CID 75473864) is N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide is CCCCNC(=O)N1CCN(C2CCCN(C3CCOCC3)C2=O)CC1.
What is the InChIKey of N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
The InChIKey is KOKFVFFLPKUVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-2-3-8-20-19(25)22-12-10-21(11-13-22)17-5-4-9-23(18(17)24)16-6-14-26-15-7-16/h16-17H,2-15H2,1H3,(H,20,25).
What are the key properties of N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide?
N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 75473864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).