N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

C21H27N3O3 — CID 27516945

IUPACN,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-7-3-17(4-8-19)15-22-21(25)24-13-11-23(12-14-24)16-18-5-9-20(27-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyMRNYLMIXBOGELE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.73
Rot. Bonds6

About N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide

N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 27516945) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID27516945
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-7-3-17(4-8-19)15-22-21(25)24-13-11-23(12-14-24)16-18-5-9-20(27-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,22,25)
InChIKeyMRNYLMIXBOGELE-UHFFFAOYSA-N
XLogP2.73
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 75527445
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107

Frequently Asked Questions

What is the IUPAC name of N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 27516945) is N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is MRNYLMIXBOGELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-7-3-17(4-8-19)15-22-21(25)24-13-11-23(12-14-24)16-18-5-9-20(27-2)10-6-18/h3-10H,11-16H2,1-2H3,(H,22,25).
What are the key properties of N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 27516945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).