N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide

C16H25N3O2 — CID 65486341

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)C1CNCCN1
InChIInChI=1S/C16H25N3O2/c1-12(10-13-6-4-5-7-15(13)21-3)19(2)16(20)14-11-17-8-9-18-14/h4-7,12,14,17-18H,8-11H2,1-3H3
InChIKeyQDEFDHAYCMCABO-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.65
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide

N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide (PubChem CID 65486341) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide
PubChem CID65486341
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)C1CNCCN1
InChIInChI=1S/C16H25N3O2/c1-12(10-13-6-4-5-7-15(13)21-3)19(2)16(20)14-11-17-8-9-18-14/h4-7,12,14,17-18H,8-11H2,1-3H3
InChIKeyQDEFDHAYCMCABO-UHFFFAOYSA-N
XLogP0.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 55178802
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperidine-3-carboxamide
CID 65487251
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 63104359
2-(azetidin-3-yl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
CID 65488021
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylazetidin-3-amine
CID 65486084
4-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopent-2-ene-1-carboxamide
CID 79208827
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-3-carboxamide
CID 119309205
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119775947

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide (CID 65486341) is N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide is COc1ccccc1CC(C)N(C)C(=O)C1CNCCN1.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide?
The InChIKey is QDEFDHAYCMCABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(10-13-6-4-5-7-15(13)21-3)19(2)16(20)14-11-17-8-9-18-14/h4-7,12,14,17-18H,8-11H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide?
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 65486341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).