N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide

C20H37N3O2 — CID 164636914

IUPACN-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCCC(CC)C(=O)N1CCC[C@H](N(CCN2CCCCC2)C(C)=O)C1
InChIInChI=1S/C20H37N3O2/c1-4-18(5-2)20(25)22-13-9-10-19(16-22)23(17(3)24)15-14-21-11-7-6-8-12-21/h18-19H,4-16H2,1-3H3/t19-/m0/s1
InChIKeyKZVWQAZXZHXTBZ-IBGZPJMESA-N
MW351.54 g/mol
LogP2.75
Rot. Bonds7

About N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide

N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 164636914) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID164636914
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCCC(CC)C(=O)N1CCC[C@H](N(CCN2CCCCC2)C(C)=O)C1
InChIInChI=1S/C20H37N3O2/c1-4-18(5-2)20(25)22-13-9-10-19(16-22)23(17(3)24)15-14-21-11-7-6-8-12-21/h18-19H,4-16H2,1-3H3/t19-/m0/s1
InChIKeyKZVWQAZXZHXTBZ-IBGZPJMESA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 164636914) is N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide is CCC(CC)C(=O)N1CCC[C@H](N(CCN2CCCCC2)C(C)=O)C1.
What is the InChIKey of N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is KZVWQAZXZHXTBZ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H37N3O2/c1-4-18(5-2)20(25)22-13-9-10-19(16-22)23(17(3)24)15-14-21-11-7-6-8-12-21/h18-19H,4-16H2,1-3H3/t19-/m0/s1.
What are the key properties of N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 351.54 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-ethylbutanoyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 164636914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).