N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide

About N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide

N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 143023797) has the molecular formula C27H48N4O2 and a molecular weight of 460.71 g/mol. Its IUPAC name is N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name	N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID	143023797
Molecular Formula	C27H48N4O2
Molecular Weight	460.71 g/mol
Exact Mass	460.38
IUPAC Name	N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide
SMILES	C=C(C(NC(=O)C1CCCCN1C(C)C)C(C)(C)C)N(C)CC=CC(C)C(=O)N1CCCC1
InChI	InChI=1S/C27H48N4O2/c1-20(2)31-19-10-9-15-23(31)25(32)28-24(27(5,6)7)22(4)29(8)16-13-14-21(3)26(33)30-17-11-12-18-30/h13-14,20-21,23-24H,4,9-12,15-19H2,1-3,5-8H3,(H,28,32)
InChIKey	XVHNBQOWKSBNHQ-UHFFFAOYSA-N
XLogP	4.04
TPSA	55.89 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	9
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.71
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The IUPAC name of N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide (CID 143023797) is N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide.

What is the SMILES notation for N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The canonical SMILES for N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide is C=C(C(NC(=O)C1CCCCN1C(C)C)C(C)(C)C)N(C)CC=CC(C)C(=O)N1CCCC1.

What is the InChIKey of N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The InChIKey is XVHNBQOWKSBNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N4O2/c1-20(2)31-19-10-9-15-23(31)25(32)28-24(27(5,6)7)22(4)29(8)16-13-14-21(3)26(33)30-17-11-12-18-30/h13-14,20-21,23-24H,4,9-12,15-19H2,1-3,5-8H3,(H,28,32).

What are the key properties of N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide?

N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 460.71 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,4-dimethyl-2-[methyl-(4-methyl-5-oxo-5-pyrrolidin-1-ylpent-2-enyl)amino]pent-1-en-3-yl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 143023797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).