2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide

C19H30N4O2 — CID 60503613

IUPAC2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)NCCCN(C)c2ccccc2)C1
InChIInChI=1S/C19H30N4O2/c1-16(24)21-17-8-6-13-23(14-17)15-19(25)20-11-7-12-22(2)18-9-4-3-5-10-18/h3-5,9-10,17H,6-8,11-15H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyIYYMPQRPJCJCKE-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.23
Rot. Bonds8

About 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide

2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide (PubChem CID 60503613) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
PubChem CID60503613
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)NCCCN(C)c2ccccc2)C1
InChIInChI=1S/C19H30N4O2/c1-16(24)21-17-8-6-13-23(14-17)15-19(25)20-11-7-12-22(2)18-9-4-3-5-10-18/h3-5,9-10,17H,6-8,11-15H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyIYYMPQRPJCJCKE-UHFFFAOYSA-N
XLogP1.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide (CID 60503613) is 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide is CC(=O)NC1CCCN(CC(=O)NCCCN(C)c2ccccc2)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
The InChIKey is IYYMPQRPJCJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16(24)21-17-8-6-13-23(14-17)15-19(25)20-11-7-12-22(2)18-9-4-3-5-10-18/h3-5,9-10,17H,6-8,11-15H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide?
2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide is sourced from PubChem (CID 60503613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).