5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide

C16H31N3O — CID 67073780

IUPAC5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide
SMILESC[C@@H]1CN[C@@H](C)CN1C(CCCC1CCCC1)C(N)=O
InChIInChI=1S/C16H31N3O/c1-12-11-19(13(2)10-18-12)15(16(17)20)9-5-8-14-6-3-4-7-14/h12-15,18H,3-11H2,1-2H3,(H2,17,20)/t12-,13+,15?/m0/s1
InChIKeyWNZWGOWCCNAETH-IKCIUXDWSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds6

About 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide

5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide (PubChem CID 67073780) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide.

Molecular Properties

Compound Name5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide
PubChem CID67073780
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide
SMILESC[C@@H]1CN[C@@H](C)CN1C(CCCC1CCCC1)C(N)=O
InChIInChI=1S/C16H31N3O/c1-12-11-19(13(2)10-18-12)15(16(17)20)9-5-8-14-6-3-4-7-14/h12-15,18H,3-11H2,1-2H3,(H2,17,20)/t12-,13+,15?/m0/s1
InChIKeyWNZWGOWCCNAETH-IKCIUXDWSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide?
The IUPAC name of 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide (CID 67073780) is 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide.
What is the SMILES notation for 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide?
The canonical SMILES for 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide is C[C@@H]1CN[C@@H](C)CN1C(CCCC1CCCC1)C(N)=O.
What is the InChIKey of 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide?
The InChIKey is WNZWGOWCCNAETH-IKCIUXDWSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-11-19(13(2)10-18-12)15(16(17)20)9-5-8-14-6-3-4-7-14/h12-15,18H,3-11H2,1-2H3,(H2,17,20)/t12-,13+,15?/m0/s1.
What are the key properties of 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide?
5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pentanamide is sourced from PubChem (CID 67073780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).