N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide

C22H28N4O2 — CID 86815098

IUPACN-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccncc1CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)21(28)24-19-9-10-23-15-18(19)16-25-11-13-26(14-12-25)20(27)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,23,24,28)
InChIKeyYOOHXCHFWNHXIB-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.02
Rot. Bonds4

About N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide

N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 86815098) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
PubChem CID86815098
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccncc1CN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c1-22(2,3)21(28)24-19-9-10-23-15-18(19)16-25-11-13-26(14-12-25)20(27)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,23,24,28)
InChIKeyYOOHXCHFWNHXIB-UHFFFAOYSA-N
XLogP3.02
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
CID 30535421
N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 30476118
pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 695033
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone;oxalic acid
CID 17366501
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
N-[3-[(2-cyclopropyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide
CID 135944492
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide (CID 86815098) is N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccncc1CN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is YOOHXCHFWNHXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(2,3)21(28)24-19-9-10-23-15-18(19)16-25-11-13-26(14-12-25)20(27)17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3,(H,23,24,28).
What are the key properties of N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide?
N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-benzoylpiperazin-1-yl)methyl]-4-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 86815098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).