4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide

C18H29N3O2 — CID 18129546

IUPAC4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-15(2)23-14-6-9-19-18(22)21-12-10-20(11-13-21)17-8-5-4-7-16(17)3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,19,22)
InChIKeyVAOGAVZSRPBNOJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.64
Rot. Bonds6

About 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide

4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide (PubChem CID 18129546) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
PubChem CID18129546
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
SMILESCc1ccccc1N1CCN(C(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-15(2)23-14-6-9-19-18(22)21-12-10-20(11-13-21)17-8-5-4-7-16(17)3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,19,22)
InChIKeyVAOGAVZSRPBNOJ-UHFFFAOYSA-N
XLogP2.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 36911975
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 115593324
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
4-(4-chloro-2-nitrophenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 41355300
formic acid;N-(4-hydroxy-3-methylbutyl)-4-(2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 154908638
4-(2-methylphenyl)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]piperazine-1-carboxamide
CID 25479399
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309
N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 18106072
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
4-(4-bromo-2-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105383
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide (CID 18129546) is 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide is Cc1ccccc1N1CCN(C(=O)NCCCOC(C)C)CC1.
What is the InChIKey of 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
The InChIKey is VAOGAVZSRPBNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)23-14-6-9-19-18(22)21-12-10-20(11-13-21)17-8-5-4-7-16(17)3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,19,22).
What are the key properties of 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide?
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 18129546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).