N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

C18H29N3O3 — CID 113104323

IUPACN-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(CCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-4-15(2)19-18(22)21-11-9-20(10-12-21)13-14-24-17-7-5-16(23-3)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyCYMMRMOPIPQCKK-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.20
Rot. Bonds7

About N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide

N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 113104323) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID113104323
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(CCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-4-15(2)19-18(22)21-11-9-20(10-12-21)13-14-24-17-7-5-16(23-3)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,19,22)
InChIKeyCYMMRMOPIPQCKK-UHFFFAOYSA-N
XLogP2.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113074770
N-(2,6-difluorophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110261
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
N-(4-cyanophenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 38159589
N-(2-ethyl-6-methylphenyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110243
4-[2-(4-methoxyphenoxy)ethyl]-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 33252826
(4-ethylphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571378
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 87000126
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(5-methoxy-2-pyridinyl)methanone
CID 71724969
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide (CID 113104323) is N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(CCOc2ccc(OC)cc2)CC1.
What is the InChIKey of N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is CYMMRMOPIPQCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-15(2)19-18(22)21-11-9-20(10-12-21)13-14-24-17-7-5-16(23-3)6-8-17/h5-8,15H,4,9-14H2,1-3H3,(H,19,22).
What are the key properties of N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide?
N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113104323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).