N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide

C21H31N3O3 — CID 53384002

IUPACN-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide
SMILESCC(C)C(C(=O)NCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H31N3O3/c1-16(2)19(20(25)22-15-17-7-4-3-5-8-17)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3,(H,22,25)
InChIKeyHNMJTMGMTRNPKV-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.65
Rot. Bonds6

About N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide

N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide (PubChem CID 53384002) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide
PubChem CID53384002
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide
SMILESCC(C)C(C(=O)NCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H31N3O3/c1-16(2)19(20(25)22-15-17-7-4-3-5-8-17)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3,(H,22,25)
InChIKeyHNMJTMGMTRNPKV-UHFFFAOYSA-N
XLogP1.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide?
The IUPAC name of N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide (CID 53384002) is N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide.
What is the SMILES notation for N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide?
The canonical SMILES for N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide is CC(C)C(C(=O)NCc1ccccc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide?
The InChIKey is HNMJTMGMTRNPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-16(2)19(20(25)22-15-17-7-4-3-5-8-17)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide?
N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide has a molecular weight of 373.50 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 53384002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).