(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide

C22H39N5O2 — CID 118719668

IUPAC(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1
InChIKeyCHOMXJPJPQZWET-XMSQKQJNSA-N
MW405.59 g/mol
LogP3.09
Rot. Bonds7

About (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide

(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide (PubChem CID 118719668) has the molecular formula C22H39N5O2 and a molecular weight of 405.59 g/mol. Its IUPAC name is (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide
PubChem CID118719668
Molecular FormulaC22H39N5O2
Molecular Weight405.59 g/mol
Exact Mass405.31
IUPAC Name(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1
InChIInChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1
InChIKeyCHOMXJPJPQZWET-XMSQKQJNSA-N
XLogP3.09
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide (CID 118719668) is (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1.
What is the InChIKey of (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide?
The InChIKey is CHOMXJPJPQZWET-XMSQKQJNSA-N. The full InChI is InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1.
What are the key properties of (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide?
(3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide has a molecular weight of 405.59 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 118719668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).