N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide

C15H22N4O2 — CID 107435917

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H22N4O2/c1-19(2)10-12-6-4-3-5-11(12)7-18-15(21)13-8-17-14(20)9-16-13/h3-6,13,16H,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVHQABRAKPOLPBN-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.55
Rot. Bonds5

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107435917) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
PubChem CID107435917
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)C1CNC(=O)CN1
InChIInChI=1S/C15H22N4O2/c1-19(2)10-12-6-4-3-5-11(12)7-18-15(21)13-8-17-14(20)9-16-13/h3-6,13,16H,7-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyVHQABRAKPOLPBN-UHFFFAOYSA-N
XLogP-0.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749
2-[2-[(5-oxopiperazine-2-carbonyl)amino]ethyl]benzoic acid
CID 77022994
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
N-[(5-ethylthiophen-2-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 114137130
N-[1-(2-methylphenyl)propan-2-yl]-5-oxopiperazine-2-carboxamide
CID 107434854
N-[(2R)-2-hydroxypropyl]-5-oxopiperazine-2-carboxamide
CID 107437971
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
N-(2-hydroxy-2-phenylethyl)-5-oxopiperazine-2-carboxamide
CID 74876403
N-[(1-methylpyrazol-3-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437406
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437463
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide (CID 107435917) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide is CN(C)Cc1ccccc1CNC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is VHQABRAKPOLPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(2)10-12-6-4-3-5-11(12)7-18-15(21)13-8-17-14(20)9-16-13/h3-6,13,16H,7-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107435917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).