N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide

C19H29N3O2 — CID 23723630

IUPACN-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-16(23)20-12-10-19(24)22-13-6-9-18(15-22)21(2)14-11-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyJQDVZRAJNPHRDQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.68
Rot. Bonds7

About N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide

N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 23723630) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID23723630
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCCC(N(C)CCc2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-16(23)20-12-10-19(24)22-13-6-9-18(15-22)21(2)14-11-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-15H2,1-2H3,(H,20,23)
InChIKeyJQDVZRAJNPHRDQ-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide (CID 23723630) is N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCCC(N(C)CCc2ccccc2)C1.
What is the InChIKey of N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is JQDVZRAJNPHRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16(23)20-12-10-19(24)22-13-6-9-18(15-22)21(2)14-11-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-15H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide?
N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 23723630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).