N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide

C13H27N3O2 — CID 126752817

IUPACN-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)N(CCO)C(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)14-5-7-15(8-6-14)13(18)16(9-10-17)12(3)4/h11-12,17H,5-10H2,1-4H3
InChIKeyYYGWAXGPFUIYPL-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.84
Rot. Bonds4

About N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide

N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide (PubChem CID 126752817) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide
PubChem CID126752817
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide
SMILESCC(C)N1CCN(C(=O)N(CCO)C(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)14-5-7-15(8-6-14)13(18)16(9-10-17)12(3)4/h11-12,17H,5-10H2,1-4H3
InChIKeyYYGWAXGPFUIYPL-UHFFFAOYSA-N
XLogP0.84
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-4-(2-hydroxyethyl)-N-methyl-, monohydrochloride
CID 3066985
N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 3066986
1,3-Bis(hydroxymethyl)-5-(1-hydroxypropan-2-yl)-1,3,5-triazinan-2-one
CID 20359890
1-Butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
4-(2-Hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 53426202
1-(2-Hydroxyethyl)-1-methyl-3-pentan-3-yl-3-propylurea
CID 54260499
4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
CID 58525046
1-Tert-butyl-1-[2-[3-(hydroxymethyl)morpholin-4-yl]ethyl]-3,3-dimethylurea
CID 59831587
1-[4-(2-Hydroxy-ethyl)-2-methyl-piperazin-1-yl]-ethanone
CID 66568109
2-[3,5-Bis(2-hydroxyethyl)-2,4,4-trimethyl-1,3,5-triazinan-1-yl]ethanol
CID 66922711
2-[Ethyl(2-hydroxyethyl)amino]-2-(4-methylpiperazin-1-yl)ethanol
CID 67147973
4-(2-Hydroxyethyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 67211888

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide (CID 126752817) is N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide is CC(C)N1CCN(C(=O)N(CCO)C(C)C)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide?
The InChIKey is YYGWAXGPFUIYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)14-5-7-15(8-6-14)13(18)16(9-10-17)12(3)4/h11-12,17H,5-10H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide?
N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126752817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).