N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide

C12H25N3O2 — CID 54995362

IUPACN-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(CCO)C(C)C)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-10(2)15(8-9-16)12(17)11(3)14-6-4-13-5-7-14/h10-11,13,16H,4-9H2,1-3H3
InChIKeyYXYJRGCQDKYQFW-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.49
Rot. Bonds5

About N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide

N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide (PubChem CID 54995362) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
PubChem CID54995362
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide
SMILESCC(C(=O)N(CCO)C(C)C)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-10(2)15(8-9-16)12(17)11(3)14-6-4-13-5-7-14/h10-11,13,16H,4-9H2,1-3H3
InChIKeyYXYJRGCQDKYQFW-UHFFFAOYSA-N
XLogP-0.49
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylacetamide
CID 60851591
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
N-cyclopropyl-N-ethyl-2-piperazin-1-ylpropanamide
CID 43264445
N-ethyl-N-(2-methylpropyl)-2-piperazin-1-ylpropanamide
CID 43274010
N-methyl-N-(4-methylpentan-2-yl)-2-piperazin-1-ylpropanamide
CID 55000406
N-(2-ethoxyethyl)-N-ethyl-2-piperazin-1-ylpropanamide
CID 63691474
N-butyl-N-cyclopropyl-2-piperazin-1-ylpropanamide
CID 61442974
methyl 2-[methyl(2-piperazin-1-ylpropanoyl)amino]acetate
CID 43130551
N-[2-(methylamino)-2-oxoethyl]-2-piperazin-1-yl-N-propylpropanamide
CID 54985265
N-(1-cyanopropan-2-yl)-N-methyl-2-piperazin-1-ylpropanamide
CID 55174159
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide (CID 54995362) is N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide is CC(C(=O)N(CCO)C(C)C)N1CCNCC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide?
The InChIKey is YXYJRGCQDKYQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)15(8-9-16)12(17)11(3)14-6-4-13-5-7-14/h10-11,13,16H,4-9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide?
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide has a molecular weight of 243.35 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylpropanamide is sourced from PubChem (CID 54995362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).