(2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide

C22H42N4O — CID 29212818

IUPAC(2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCN1CCC(N2C[C@H](NC3CCC(CC)CC3)C[C@H]2C(=O)NC)CC1
InChIInChI=1S/C22H42N4O/c1-4-12-25-13-10-20(11-14-25)26-16-19(15-21(26)22(27)23-3)24-18-8-6-17(5-2)7-9-18/h17-21,24H,4-16H2,1-3H3,(H,23,27)/t17?,18?,19-,21+/m1/s1
InChIKeyMUDXULPCSQHYKV-BRAJZSMUSA-N
MW378.61 g/mol
LogP2.61
Rot. Bonds7

About (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 29212818) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID29212818
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name(2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCCCN1CCC(N2C[C@H](NC3CCC(CC)CC3)C[C@H]2C(=O)NC)CC1
InChIInChI=1S/C22H42N4O/c1-4-12-25-13-10-20(11-14-25)26-16-19(15-21(26)22(27)23-3)24-18-8-6-17(5-2)7-9-18/h17-21,24H,4-16H2,1-3H3,(H,23,27)/t17?,18?,19-,21+/m1/s1
InChIKeyMUDXULPCSQHYKV-BRAJZSMUSA-N
XLogP2.61
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide 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 (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 29212818) is (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide is CCCN1CCC(N2C[C@H](NC3CCC(CC)CC3)C[C@H]2C(=O)NC)CC1.
What is the InChIKey of (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is MUDXULPCSQHYKV-BRAJZSMUSA-N. The full InChI is InChI=1S/C22H42N4O/c1-4-12-25-13-10-20(11-14-25)26-16-19(15-21(26)22(27)23-3)24-18-8-6-17(5-2)7-9-18/h17-21,24H,4-16H2,1-3H3,(H,23,27)/t17?,18?,19-,21+/m1/s1.
What are the key properties of (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 378.61 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(4-ethylcyclohexyl)amino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 29212818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).