N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C22H30N4O3 — CID 86862579

IUPACN-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(C)OCCOCc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C22H30N4O3/c1-18(2)29-15-14-28-17-19-4-3-5-20(16-19)24-22(27)26-12-10-25(11-13-26)21-6-8-23-9-7-21/h3-9,16,18H,10-15,17H2,1-2H3,(H,24,27)
InChIKeyKYTJEVGHIMZDFT-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.38
Rot. Bonds8

About N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86862579) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86862579
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCC(C)OCCOCc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C22H30N4O3/c1-18(2)29-15-14-28-17-19-4-3-5-20(16-19)24-22(27)26-12-10-25(11-13-26)21-6-8-23-9-7-21/h3-9,16,18H,10-15,17H2,1-2H3,(H,24,27)
InChIKeyKYTJEVGHIMZDFT-UHFFFAOYSA-N
XLogP3.38
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179
N-[3-(hydroxymethyl)phenyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 135144227
1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444
N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
CID 86861957
N-(3-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113577
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
N-[3-(furan-2-ylmethoxymethyl)phenyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55820320
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
3-[[3-(2-propan-2-yloxyethoxymethyl)anilino]methyl]benzoic acid
CID 122029725

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86862579) is N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide is CC(C)OCCOCc1cccc(NC(=O)N2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is KYTJEVGHIMZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-18(2)29-15-14-28-17-19-4-3-5-20(16-19)24-22(27)26-12-10-25(11-13-26)21-6-8-23-9-7-21/h3-9,16,18H,10-15,17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86862579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).