N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

C23H37N3O — CID 110226619

IUPACN-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1ccccn1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C23H37N3O/c1-23(2,3)22(27)25-21(20-11-7-8-14-24-20)19-12-15-26(16-13-19)17-18-9-5-4-6-10-18/h7-8,11,14,18-19,21H,4-6,9-10,12-13,15-17H2,1-3H3,(H,25,27)
InChIKeyIVVCCNCNMZKVIM-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.58
Rot. Bonds5

About N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide

N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (PubChem CID 110226619) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
PubChem CID110226619
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(c1ccccn1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C23H37N3O/c1-23(2,3)22(27)25-21(20-11-7-8-14-24-20)19-12-15-26(16-13-19)17-18-9-5-4-6-10-18/h7-8,11,14,18-19,21H,4-6,9-10,12-13,15-17H2,1-3H3,(H,25,27)
InChIKeyIVVCCNCNMZKVIM-UHFFFAOYSA-N
XLogP4.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(S)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]-pyridin-2-ylmethyl]propanamide
CID 92581928
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
N-[(1R)-2-[(2R)-1-(cyclohexylmethyl)piperidin-2-yl]-1-pyridin-2-ylethyl]-2,2-dimethylpropanamide
CID 92551869
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
2,2-dimethyl-N-[(S)-pyridin-2-yl-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 92551988
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
N-[[4-[(S)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 98135966
N-[(R)-[(3S)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551929
2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228657
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423496
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide (CID 110226619) is N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(c1ccccn1)C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
The InChIKey is IVVCCNCNMZKVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-23(2,3)22(27)25-21(20-11-7-8-14-24-20)19-12-15-26(16-13-19)17-18-9-5-4-6-10-18/h7-8,11,14,18-19,21H,4-6,9-10,12-13,15-17H2,1-3H3,(H,25,27).
What are the key properties of N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide?
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide has a molecular weight of 371.57 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 110226619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).