cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid

C19H32N4O2 — CID 69250731

IUPACcyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid
SMILESC1CCCCC1.CC(C)N1CCN(c2cc(NC(=O)O)ccn2)CC1
InChIInChI=1S/C13H20N4O2.C6H12/c1-10(2)16-5-7-17(8-6-16)12-9-11(3-4-14-12)15-13(18)19;1-2-4-6-5-3-1/h3-4,9-10H,5-8H2,1-2H3,(H,14,15)(H,18,19);1-6H2
InChIKeyHHHZQNXXHNYFQU-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.04
Rot. Bonds3

About cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid

cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid (PubChem CID 69250731) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Namecyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid
PubChem CID69250731
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Namecyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid
SMILESC1CCCCC1.CC(C)N1CCN(c2cc(NC(=O)O)ccn2)CC1
InChIInChI=1S/C13H20N4O2.C6H12/c1-10(2)16-5-7-17(8-6-16)12-9-11(3-4-14-12)15-13(18)19;1-2-4-6-5-3-1/h3-4,9-10H,5-8H2,1-2H3,(H,14,15)(H,18,19);1-6H2
InChIKeyHHHZQNXXHNYFQU-UHFFFAOYSA-N
XLogP4.04
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide
CID 91140414
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanone
CID 102545672
N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 140701990
2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
CID 43585311
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
1-(4-fluorophenyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 57465551
ethyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11500270
N-[[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62283972
N-[3-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]acetamide
CID 15951459
(2R,6R)-N-[2-(4-cyclopentylpiperazin-1-yl)-4-pyridinyl]-2,6-dimethylpiperidine-1-carboxamide
CID 129364144
[3-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175315

Frequently Asked Questions

What is the IUPAC name of cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid?
The IUPAC name of cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid (CID 69250731) is cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid.
What is the SMILES notation for cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid?
The canonical SMILES for cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid is C1CCCCC1.CC(C)N1CCN(c2cc(NC(=O)O)ccn2)CC1.
What is the InChIKey of cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid?
The InChIKey is HHHZQNXXHNYFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.C6H12/c1-10(2)16-5-7-17(8-6-16)12-9-11(3-4-14-12)15-13(18)19;1-2-4-6-5-3-1/h3-4,9-10H,5-8H2,1-2H3,(H,14,15)(H,18,19);1-6H2.
What are the key properties of cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid?
cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid has a molecular weight of 348.49 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid is sourced from PubChem (CID 69250731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).