N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide

C19H34N6O3 — CID 142002304

IUPACN-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide
SMILESCC(=O)NCC(O)Cn1ccnc1.O=C(NC1CCCCC1)N1CCNCC1
InChIInChI=1S/C11H21N3O.C8H13N3O2/c15-11(14-8-6-12-7-9-14)13-10-4-2-1-3-5-10;1-7(12)10-4-8(13)5-11-3-2-9-6-11/h10,12H,1-9H2,(H,13,15);2-3,6,8,13H,4-5H2,1H3,(H,10,12)
InChIKeyXQMKWMMQUOLMNE-UHFFFAOYSA-N
MW394.52 g/mol
LogP0.31
Rot. Bonds5

About N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide

N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide (PubChem CID 142002304) has the molecular formula C19H34N6O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide
PubChem CID142002304
Molecular FormulaC19H34N6O3
Molecular Weight394.52 g/mol
Exact Mass394.27
IUPAC NameN-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide
SMILESCC(=O)NCC(O)Cn1ccnc1.O=C(NC1CCCCC1)N1CCNCC1
InChIInChI=1S/C11H21N3O.C8H13N3O2/c15-11(14-8-6-12-7-9-14)13-10-4-2-1-3-5-10;1-7(12)10-4-8(13)5-11-3-2-9-6-11/h10,12H,1-9H2,(H,13,15);2-3,6,8,13H,4-5H2,1H3,(H,10,12)
InChIKeyXQMKWMMQUOLMNE-UHFFFAOYSA-N
XLogP0.31
TPSA111.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide (CID 142002304) is N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide is CC(=O)NCC(O)Cn1ccnc1.O=C(NC1CCCCC1)N1CCNCC1.
What is the InChIKey of N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide?
The InChIKey is XQMKWMMQUOLMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C8H13N3O2/c15-11(14-8-6-12-7-9-14)13-10-4-2-1-3-5-10;1-7(12)10-4-8(13)5-11-3-2-9-6-11/h10,12H,1-9H2,(H,13,15);2-3,6,8,13H,4-5H2,1H3,(H,10,12).
What are the key properties of N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide?
N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpiperazine-1-carboxamide;N-(2-hydroxy-3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 142002304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).