4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide

C18H29N3O3 — CID 108878755

IUPAC4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CCO)CC1)Oc1ccccc1C(C)C
InChIInChI=1S/C18H29N3O3/c1-14(2)16-6-4-5-7-17(16)24-15(3)19-18(23)21-10-8-20(9-11-21)12-13-22/h4-7,14-15,22H,8-13H2,1-3H3,(H,19,23)
InChIKeyAEXNNAUQKCCHHR-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.85
Rot. Bonds6

About 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 108878755) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID108878755
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CCO)CC1)Oc1ccccc1C(C)C
InChIInChI=1S/C18H29N3O3/c1-14(2)16-6-4-5-7-17(16)24-15(3)19-18(23)21-10-8-20(9-11-21)12-13-22/h4-7,14-15,22H,8-13H2,1-3H3,(H,19,23)
InChIKeyAEXNNAUQKCCHHR-UHFFFAOYSA-N
XLogP1.85
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-propan-2-ylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108878778
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
2-(2-butan-2-ylphenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 154743326
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92679201
(2R)-2-(2-propan-2-ylphenoxy)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 42562907
2-methyl-1-[4-[2-(2-propan-2-ylphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 108535800
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-prop-2-enylurea
CID 108878787
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide (CID 108878755) is 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide is CC(NC(=O)N1CCN(CCO)CC1)Oc1ccccc1C(C)C.
What is the InChIKey of 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is AEXNNAUQKCCHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(2)16-6-4-5-7-17(16)24-15(3)19-18(23)21-10-8-20(9-11-21)12-13-22/h4-7,14-15,22H,8-13H2,1-3H3,(H,19,23).
What are the key properties of 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-[1-(2-propan-2-ylphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108878755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).