N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C23H36N4O — CID 97281081

IUPACN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(N1CCCC1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C23H36N4O/c28-23(25-13-4-5-14-25)27(17-20-8-6-12-24-16-20)19-21-9-7-15-26(18-21)22-10-2-1-3-11-22/h6,8,12,16,21-22H,1-5,7,9-11,13-15,17-19H2/t21-/m1/s1
InChIKeyJEEODYPTEKIVRB-OAQYLSRUSA-N
MW384.57 g/mol
LogP4.14
Rot. Bonds5

About N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 97281081) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID97281081
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(N1CCCC1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C23H36N4O/c28-23(25-13-4-5-14-25)27(17-20-8-6-12-24-16-20)19-21-9-7-15-26(18-21)22-10-2-1-3-11-22/h6,8,12,16,21-22H,1-5,7,9-11,13-15,17-19H2/t21-/m1/s1
InChIKeyJEEODYPTEKIVRB-OAQYLSRUSA-N
XLogP4.14
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288
3-amino-N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 72885841
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42591164
N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 45180714
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 25274473
1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45197766
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42521827
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 97281081) is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is O=C(N1CCCC1)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is JEEODYPTEKIVRB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H36N4O/c28-23(25-13-4-5-14-25)27(17-20-8-6-12-24-16-20)19-21-9-7-15-26(18-21)22-10-2-1-3-11-22/h6,8,12,16,21-22H,1-5,7,9-11,13-15,17-19H2/t21-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97281081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).