2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide

C20H37N3O — CID 171359173

IUPAC2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CC1CCCCC1)N(CCCN1CCCC1)[C@H]1CCCNC1
InChIInChI=1S/C20H37N3O/c24-20(16-18-8-2-1-3-9-18)23(19-10-6-11-21-17-19)15-7-14-22-12-4-5-13-22/h18-19,21H,1-17H2/t19-/m0/s1
InChIKeyBUUKJBSXXHOIAF-IBGZPJMESA-N
MW335.54 g/mol
LogP3.02
Rot. Bonds7

About 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide

2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 171359173) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID171359173
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
SMILESO=C(CC1CCCCC1)N(CCCN1CCCC1)[C@H]1CCCNC1
InChIInChI=1S/C20H37N3O/c24-20(16-18-8-2-1-3-9-18)23(19-10-6-11-21-17-19)15-7-14-22-12-4-5-13-22/h18-19,21H,1-17H2/t19-/m0/s1
InChIKeyBUUKJBSXXHOIAF-IBGZPJMESA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide (CID 171359173) is 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide is O=C(CC1CCCCC1)N(CCCN1CCCC1)[C@H]1CCCNC1.
What is the InChIKey of 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is BUUKJBSXXHOIAF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H37N3O/c24-20(16-18-8-2-1-3-9-18)23(19-10-6-11-21-17-19)15-7-14-22-12-4-5-13-22/h18-19,21H,1-17H2/t19-/m0/s1.
What are the key properties of 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide?
2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 335.54 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3S)-piperidin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 171359173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).