cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid

C20H32N4O2 — CID 69252651

IUPACcyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
SMILESC1CCCC1.O=C(O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C15H22N4O2.C5H10/c20-15(21)17-14-11-13(5-6-16-14)19-9-7-18(8-10-19)12-3-1-2-4-12;1-2-4-5-3-1/h5-6,11-12H,1-4,7-10H2,(H,16,17)(H,20,21);1-5H2
InChIKeyWDUBSPYDFPUCOK-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.19
Rot. Bonds3

About cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid

cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid (PubChem CID 69252651) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Namecyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
PubChem CID69252651
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Namecyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
SMILESC1CCCC1.O=C(O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C15H22N4O2.C5H10/c20-15(21)17-14-11-13(5-6-16-14)19-9-7-18(8-10-19)12-3-1-2-4-12;1-2-4-5-3-1/h5-6,11-12H,1-4,7-10H2,(H,16,17)(H,20,21);1-5H2
InChIKeyWDUBSPYDFPUCOK-UHFFFAOYSA-N
XLogP4.19
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid?
The IUPAC name of cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid (CID 69252651) is cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid?
The canonical SMILES for cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid is C1CCCC1.O=C(O)Nc1cc(N2CCN(C3CCCC3)CC2)ccn1.
What is the InChIKey of cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid?
The InChIKey is WDUBSPYDFPUCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.C5H10/c20-15(21)17-14-11-13(5-6-16-14)19-9-7-18(8-10-19)12-3-1-2-4-12;1-2-4-5-3-1/h5-6,11-12H,1-4,7-10H2,(H,16,17)(H,20,21);1-5H2.
What are the key properties of cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid?
cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid has a molecular weight of 360.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 69252651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).