N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide

C18H26N4O2 — CID 3025487

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H26N4O2/c1-20-7-9-21(10-8-20)18(24)19-12-16-11-17(23)22(14-16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,24)
InChIKeyNXDJWEINEGQCBN-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.99
Rot. Bonds4

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 3025487) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide
PubChem CID3025487
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H26N4O2/c1-20-7-9-21(10-8-20)18(24)19-12-16-11-17(23)22(14-16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,24)
InChIKeyNXDJWEINEGQCBN-UHFFFAOYSA-N
XLogP0.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide (CID 3025487) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is NXDJWEINEGQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-20-7-9-21(10-8-20)18(24)19-12-16-11-17(23)22(14-16)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,24).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 3025487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).