5-piperazin-1-ylpentylcarbamic acid

C10H21N3O2 — CID 166666960

IUPAC5-piperazin-1-ylpentylcarbamic acid
SMILESO=C(O)NCCCCCN1CCNCC1
InChIInChI=1S/C10H21N3O2/c14-10(15)12-4-2-1-3-7-13-8-5-11-6-9-13/h11-12H,1-9H2,(H,14,15)
InChIKeyUSYAXNNLHFQWSR-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.33
Rot. Bonds6

About 5-piperazin-1-ylpentylcarbamic acid

5-piperazin-1-ylpentylcarbamic acid (PubChem CID 166666960) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-piperazin-1-ylpentylcarbamic acid.

Molecular Properties

Compound Name5-piperazin-1-ylpentylcarbamic acid
PubChem CID166666960
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name5-piperazin-1-ylpentylcarbamic acid
SMILESO=C(O)NCCCCCN1CCNCC1
InChIInChI=1S/C10H21N3O2/c14-10(15)12-4-2-1-3-7-13-8-5-11-6-9-13/h11-12H,1-9H2,(H,14,15)
InChIKeyUSYAXNNLHFQWSR-UHFFFAOYSA-N
XLogP0.33
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(5-piperazin-1-ylpentyl)prop-2-enamide
CID 18464110
3-pyrrolidin-1-ylpropylcarbamic acid
CID 67998404
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
6-piperazin-1-ylhexanoic acid
CID 54010280
aziridine;octadecylcarbamic acid
CID 88639919
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291
4-(2-piperazin-1-ylethylcarbamoylamino)butanoic acid
CID 61408408
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
3,3-dimethyl-5-oxo-5-(3-piperazin-1-ylpropylamino)pentanoic acid
CID 62935271
1-tert-butyl-3-(3-piperazin-1-ylpropyl)urea
CID 43443413
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylpentylcarbamic acid?
The IUPAC name of 5-piperazin-1-ylpentylcarbamic acid (CID 166666960) is 5-piperazin-1-ylpentylcarbamic acid.
What is the SMILES notation for 5-piperazin-1-ylpentylcarbamic acid?
The canonical SMILES for 5-piperazin-1-ylpentylcarbamic acid is O=C(O)NCCCCCN1CCNCC1.
What is the InChIKey of 5-piperazin-1-ylpentylcarbamic acid?
The InChIKey is USYAXNNLHFQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c14-10(15)12-4-2-1-3-7-13-8-5-11-6-9-13/h11-12H,1-9H2,(H,14,15).
What are the key properties of 5-piperazin-1-ylpentylcarbamic acid?
5-piperazin-1-ylpentylcarbamic acid has a molecular weight of 215.30 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylpentylcarbamic acid is sourced from PubChem (CID 166666960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).