1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide

C22H32N4O2 — CID 59401848

IUPAC1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc(N2CCC(N3CCCC3C)C2)cc1
InChIInChI=1S/C22H32N4O2/c1-16-5-3-12-25(16)20-11-14-24(15-20)19-9-7-18(8-10-19)23-22(28)21-6-4-13-26(21)17(2)27/h7-10,16,20-21H,3-6,11-15H2,1-2H3,(H,23,28)
InChIKeyDHUOTSJELWOUBC-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.70
Rot. Bonds4

About 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide

1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 59401848) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide
PubChem CID59401848
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1ccc(N2CCC(N3CCCC3C)C2)cc1
InChIInChI=1S/C22H32N4O2/c1-16-5-3-12-25(16)20-11-14-24(15-20)19-9-7-18(8-10-19)23-22(28)21-6-4-13-26(21)17(2)27/h7-10,16,20-21H,3-6,11-15H2,1-2H3,(H,23,28)
InChIKeyDHUOTSJELWOUBC-UHFFFAOYSA-N
XLogP2.70
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide (CID 59401848) is 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1ccc(N2CCC(N3CCCC3C)C2)cc1.
What is the InChIKey of 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DHUOTSJELWOUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-16-5-3-12-25(16)20-11-14-24(15-20)19-9-7-18(8-10-19)23-22(28)21-6-4-13-26(21)17(2)27/h7-10,16,20-21H,3-6,11-15H2,1-2H3,(H,23,28).
What are the key properties of 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59401848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).