1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide

C19H33N3O2 — CID 46992490

IUPAC1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C19H33N3O2/c23-18(20-11-15-21-12-5-2-6-13-21)17-10-7-14-22(17)19(24)16-8-3-1-4-9-16/h16-17H,1-15H2,(H,20,23)
InChIKeyZQFXTEQICNMPOC-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.16
Rot. Bonds5

About 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 46992490) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID46992490
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C19H33N3O2/c23-18(20-11-15-21-12-5-2-6-13-21)17-10-7-14-22(17)19(24)16-8-3-1-4-9-16/h16-17H,1-15H2,(H,20,23)
InChIKeyZQFXTEQICNMPOC-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Posatirelin
CID 71230
(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
1-(2-Amino-3,3-dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10367012
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
(2S)-2-amino-2-cyclohexyl-1-(piperidin-1-yl)ethan-1-one
CID 23646030
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
(S)-1-((S)-2-Amino-3,3-dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
CID 10790153
1-[2-(1-Cyclohexanecarbonyl-piperidin-4-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
CID 10904132
Cyclohexanecarboxylic acid {4-[2-(2-cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-cyclohexyl}-amide
CID 11089704
Proline scaffold, 34
CID 42618131
Cyclohexanecarboxylic acid {1-[(cyclohexyl-methyl-carbamoyl)-methyl]-piperidin-4-yl}-amide
CID 6603003
(2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-aminocyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 44353259

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide (CID 46992490) is 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide is O=C(NCCN1CCCCC1)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZQFXTEQICNMPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c23-18(20-11-15-21-12-5-2-6-13-21)17-10-7-14-22(17)19(24)16-8-3-1-4-9-16/h16-17H,1-15H2,(H,20,23).
What are the key properties of 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46992490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).