(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid

C11H23N3O2 — CID 175454459

IUPAC(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
SMILESCC(C)(CCCN1CCNCC1)NC(=O)O
InChIInChI=1S/C11H23N3O2/c1-11(2,13-10(15)16)4-3-7-14-8-5-12-6-9-14/h12-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyJPOXYLAOSLQVIK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.72
Rot. Bonds5

About (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid

(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid (PubChem CID 175454459) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Name(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
PubChem CID175454459
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid
SMILESCC(C)(CCCN1CCNCC1)NC(=O)O
InChIInChI=1S/C11H23N3O2/c1-11(2,13-10(15)16)4-3-7-14-8-5-12-6-9-14/h12-13H,3-9H2,1-2H3,(H,15,16)
InChIKeyJPOXYLAOSLQVIK-UHFFFAOYSA-N
XLogP0.72
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(3-piperazin-1-ylpropylcarbamoylamino)butanoic acid
CID 64700080
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
5-piperazin-1-ylpentylcarbamic acid
CID 166666960
1-(4,4-dimethylpentyl)piperazine;ethane
CID 166478738
[4-(4,4-difluoropiperidin-1-yl)-2-methylbutan-2-yl]carbamic acid
CID 91414119
2,2-dimethyl-4-piperazin-1-ylbutanoic acid;hydrochloride
CID 174708967
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
N-(2,2-dimethylpropyl)-4-piperazin-1-ylbutanamide
CID 115178486
6-piperazin-1-ylhexanoic acid
CID 54010280
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid?
The IUPAC name of (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid (CID 175454459) is (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid.
What is the SMILES notation for (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid?
The canonical SMILES for (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid is CC(C)(CCCN1CCNCC1)NC(=O)O.
What is the InChIKey of (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid?
The InChIKey is JPOXYLAOSLQVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,13-10(15)16)4-3-7-14-8-5-12-6-9-14/h12-13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid?
(2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid has a molecular weight of 229.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-piperazin-1-ylpentan-2-yl)carbamic acid is sourced from PubChem (CID 175454459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).