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

C21H37N3O2 — CID 164635595

IUPACN-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C21H37N3O2/c1-18(25)24(15-14-22-11-5-2-6-12-22)20-10-7-13-23(17-20)21(26)16-19-8-3-4-9-19/h19-20H,2-17H2,1H3/t20-/m0/s1
InChIKeyAOGYQGHXOMBXSJ-FQEVSTJZSA-N
MW363.55 g/mol
LogP2.89
Rot. Bonds6

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

N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 164635595) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID164635595
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC NameN-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(C(=O)CC2CCCC2)C1
InChIInChI=1S/C21H37N3O2/c1-18(25)24(15-14-22-11-5-2-6-12-22)20-10-7-13-23(17-20)21(26)16-19-8-3-4-9-19/h19-20H,2-17H2,1H3/t20-/m0/s1
InChIKeyAOGYQGHXOMBXSJ-FQEVSTJZSA-N
XLogP2.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 164635595) is N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide is CC(=O)N(CCN1CCCCC1)[C@H]1CCCN(C(=O)CC2CCCC2)C1.
What is the InChIKey of N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is AOGYQGHXOMBXSJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-18(25)24(15-14-22-11-5-2-6-12-22)20-10-7-13-23(17-20)21(26)16-19-8-3-4-9-19/h19-20H,2-17H2,1H3/t20-/m0/s1.
What are the key properties of N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide?
N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 363.55 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 164635595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).