N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C25H35N5O — CID 60515935

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)C3CCCN(c4cnccn4)C3)cc2)C1
InChIInChI=1S/C25H35N5O/c1-19-12-20(2)16-29(15-19)17-22-7-5-21(6-8-22)13-28-25(31)23-4-3-11-30(18-23)24-14-26-9-10-27-24/h5-10,14,19-20,23H,3-4,11-13,15-18H2,1-2H3,(H,28,31)
InChIKeyILIDZCZEZSQCGI-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.49
Rot. Bonds6

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 60515935) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID60515935
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC1CC(C)CN(Cc2ccc(CNC(=O)C3CCCN(c4cnccn4)C3)cc2)C1
InChIInChI=1S/C25H35N5O/c1-19-12-20(2)16-29(15-19)17-22-7-5-21(6-8-22)13-28-25(31)23-4-3-11-30(18-23)24-14-26-9-10-27-24/h5-10,14,19-20,23H,3-4,11-13,15-18H2,1-2H3,(H,28,31)
InChIKeyILIDZCZEZSQCGI-UHFFFAOYSA-N
XLogP3.49
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
(3S)-1-acetyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 100853149
N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-(1-benzylpiperidin-4-yl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51934536
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 92862538
(3S)-N-[2-(diethylamino)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94045944
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 60515935) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is CC1CC(C)CN(Cc2ccc(CNC(=O)C3CCCN(c4cnccn4)C3)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is ILIDZCZEZSQCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-19-12-20(2)16-29(15-19)17-22-7-5-21(6-8-22)13-28-25(31)23-4-3-11-30(18-23)24-14-26-9-10-27-24/h5-10,14,19-20,23H,3-4,11-13,15-18H2,1-2H3,(H,28,31).
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 60515935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).