N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

About N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide

N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 21032185) has the molecular formula C27H48N4O4 and a molecular weight of 492.71 g/mol. Its IUPAC name is N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name	N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
PubChem CID	21032185
Molecular Formula	C27H48N4O4
Molecular Weight	492.71 g/mol
Exact Mass	492.37
IUPAC Name	N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
SMILES	COCC1CCCN1C(=O)/C(C)=C/C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)C
InChI	InChI=1S/C27H48N4O4/c1-18(2)23(16-20(5)26(33)31-15-11-12-21(31)17-35-8)30(7)27(34)24(19(3)4)28-25(32)22-13-9-10-14-29(22)6/h16,18-19,21-24H,9-15,17H2,1-8H3,(H,28,32)/b20-16+
InChIKey	CVPZULHDWSFQFM-CAPFRKAQSA-N
XLogP	2.68
TPSA	82.19 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.71
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

The IUPAC name of N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide (CID 21032185) is N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide.

What is the SMILES notation for N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

The canonical SMILES for N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is COCC1CCCN1C(=O)/C(C)=C/C(C(C)C)N(C)C(=O)C(NC(=O)C1CCCCN1C)C(C)C.

What is the InChIKey of N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

The InChIKey is CVPZULHDWSFQFM-CAPFRKAQSA-N. The full InChI is InChI=1S/C27H48N4O4/c1-18(2)23(16-20(5)26(33)31-15-11-12-21(31)17-35-8)30(7)27(34)24(19(3)4)28-25(32)22-13-9-10-14-29(22)6/h16,18-19,21-24H,9-15,17H2,1-8H3,(H,28,32)/b20-16+.

What are the key properties of N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide?

N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 492.71 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(E)-6-[2-(methoxymethyl)pyrrolidin-1-yl]-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 21032185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).