N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide

C24H39N3O — CID 92551869

IUPACN-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1CC1CCCCC1)c1ccccn1
InChIInChI=1S/C24H39N3O/c1-24(2,3)23(28)26-22(21-14-7-9-15-25-21)17-20-13-8-10-16-27(20)18-19-11-5-4-6-12-19/h7,9,14-15,19-20,22H,4-6,8,10-13,16-18H2,1-3H3,(H,26,28)/t20-,22-/m1/s1
InChIKeyOSGBAJHDRQKEEV-IFMALSPDSA-N
MW385.60 g/mol
LogP5.11
Rot. Bonds6

About N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide

N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide (PubChem CID 92551869) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide
PubChem CID92551869
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC NameN-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1CC1CCCCC1)c1ccccn1
InChIInChI=1S/C24H39N3O/c1-24(2,3)23(28)26-22(21-14-7-9-15-25-21)17-20-13-8-10-16-27(20)18-19-11-5-4-6-12-19/h7,9,14-15,19-20,22H,4-6,8,10-13,16-18H2,1-3H3,(H,26,28)/t20-,22-/m1/s1
InChIKeyOSGBAJHDRQKEEV-IFMALSPDSA-N
XLogP5.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide (CID 92551869) is N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1CC1CCCCC1)c1ccccn1.
What is the InChIKey of N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide?
The InChIKey is OSGBAJHDRQKEEV-IFMALSPDSA-N. The full InChI is InChI=1S/C24H39N3O/c1-24(2,3)23(28)26-22(21-14-7-9-15-25-21)17-20-13-8-10-16-27(20)18-19-11-5-4-6-12-19/h7,9,14-15,19-20,22H,4-6,8,10-13,16-18H2,1-3H3,(H,26,28)/t20-,22-/m1/s1.
What are the key properties of N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide?
N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide has a molecular weight of 385.60 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 92551869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).