N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C21H30N6O — CID 17495098

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)
InChIKeyBZUHDDVBSAICQG-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.35
Rot. Bonds7

About N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 17495098) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID17495098
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)
InChIKeyBZUHDDVBSAICQG-UHFFFAOYSA-N
XLogP2.35
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 52543296
N'-[[4-(diethylaminomethyl)phenyl]methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207733
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60577602
N-[(4-methoxy-3-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71934378
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 17490101
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60551137
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 46486397
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
N-[(4-chlorophenyl)methyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108507791
N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 11702585

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 17495098) is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is CCN(CC)Cc1ccc(CNC(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is BZUHDDVBSAICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-8-6-18(7-9-19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-5-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 17495098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).