N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide

C27H35N5O — CID 110228602

IUPACN-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
SMILESCC(C)(C)c1[nH]ncc1CN1CCC(C(NC(=O)Cc2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C27H35N5O/c1-27(2,3)26-22(18-29-31-26)19-32-15-12-21(13-16-32)25(23-11-7-8-14-28-23)30-24(33)17-20-9-5-4-6-10-20/h4-11,14,18,21,25H,12-13,15-17,19H2,1-3H3,(H,29,31)(H,30,33)
InChIKeyHZLFJNFOZHLZEC-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.41
Rot. Bonds7

About N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide

N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide (PubChem CID 110228602) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
PubChem CID110228602
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC NameN-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
SMILESCC(C)(C)c1[nH]ncc1CN1CCC(C(NC(=O)Cc2ccccc2)c2ccccn2)CC1
InChIInChI=1S/C27H35N5O/c1-27(2,3)26-22(18-29-31-26)19-32-15-12-21(13-16-32)25(23-11-7-8-14-28-23)30-24(33)17-20-9-5-4-6-10-20/h4-11,14,18,21,25H,12-13,15-17,19H2,1-3H3,(H,29,31)(H,30,33)
InChIKeyHZLFJNFOZHLZEC-UHFFFAOYSA-N
XLogP4.41
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
2-[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166289508
2-methoxy-N-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228631
2-phenyl-N-[(R)-pyridin-2-yl-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574472
N-[(R)-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92551996
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
N-[(S)-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 95850865
2-cyclopentyl-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228657
N-[(R)-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552003

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The IUPAC name of N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide (CID 110228602) is N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide.
What is the SMILES notation for N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The canonical SMILES for N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide is CC(C)(C)c1[nH]ncc1CN1CCC(C(NC(=O)Cc2ccccc2)c2ccccn2)CC1.
What is the InChIKey of N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
The InChIKey is HZLFJNFOZHLZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-27(2,3)26-22(18-29-31-26)19-32-15-12-21(13-16-32)25(23-11-7-8-14-28-23)30-24(33)17-20-9-5-4-6-10-20/h4-11,14,18,21,25H,12-13,15-17,19H2,1-3H3,(H,29,31)(H,30,33).
What are the key properties of N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide?
N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide has a molecular weight of 445.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide is sourced from PubChem (CID 110228602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).