2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide

C22H33N3O2 — CID 155950121

IUPAC2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)N1CC(O)CC1C1CCCCC1
InChIInChI=1S/C22H33N3O2/c26-20-14-21(18-6-2-1-3-7-18)25(16-20)22(27)23-15-17-8-10-19(11-9-17)24-12-4-5-13-24/h8-11,18,20-21,26H,1-7,12-16H2,(H,23,27)
InChIKeySCECZGCEBDZPAZ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.51
Rot. Bonds4

About 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide

2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 155950121) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID155950121
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)cc1)N1CC(O)CC1C1CCCCC1
InChIInChI=1S/C22H33N3O2/c26-20-14-21(18-6-2-1-3-7-18)25(16-20)22(27)23-15-17-8-10-19(11-9-17)24-12-4-5-13-24/h8-11,18,20-21,26H,1-7,12-16H2,(H,23,27)
InChIKeySCECZGCEBDZPAZ-UHFFFAOYSA-N
XLogP3.51
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-azabicyclo[4.1.0]heptane-2-carboxamide
CID 154757862
4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122019573
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 71884444
2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 87036335
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46461564
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 35614544
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide (CID 155950121) is 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(N2CCCC2)cc1)N1CC(O)CC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is SCECZGCEBDZPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-20-14-21(18-6-2-1-3-7-18)25(16-20)22(27)23-15-17-8-10-19(11-9-17)24-12-4-5-13-24/h8-11,18,20-21,26H,1-7,12-16H2,(H,23,27).
What are the key properties of 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-hydroxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155950121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).