4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide

C18H29N3O2 — CID 110613303

IUPAC4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1CN1CCN(C(=O)NCC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-23-17-8-6-5-7-16(17)14-20-9-11-21(12-10-20)18(22)19-13-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyCXECZEPMTBSAFS-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.57
Rot. Bonds6

About 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide

4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 110613303) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID110613303
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCCOc1ccccc1CN1CCN(C(=O)NCC(C)C)CC1
InChIInChI=1S/C18H29N3O2/c1-4-23-17-8-6-5-7-16(17)14-20-9-11-21(12-10-20)18(22)19-13-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyCXECZEPMTBSAFS-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethoxyphenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 110357392
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 110360003
N-[(3-chlorophenyl)methyl]-4-[(2-ethoxyphenyl)methyl]piperazine-1-carboxamide
CID 110357396
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110360001
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110426711
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 112690620
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
1-benzhydryl-4-[(2-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 163328320
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110613299

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide (CID 110613303) is 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide is CCOc1ccccc1CN1CCN(C(=O)NCC(C)C)CC1.
What is the InChIKey of 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is CXECZEPMTBSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-23-17-8-6-5-7-16(17)14-20-9-11-21(12-10-20)18(22)19-13-15(2)3/h5-8,15H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 110613303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).