N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide

C16H30N4O2 — CID 173306267

IUPACN-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide
SMILESO=CNC1(O)CCC(N2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C16H30N4O2/c21-13-18-16(22)5-1-14(2-6-16)19-9-11-20(12-10-19)15-3-7-17-8-4-15/h13-15,17,22H,1-12H2,(H,18,21)
InChIKeyCHIHKNJEBGJJOH-UHFFFAOYSA-N
MW310.44 g/mol
LogP-0.27
Rot. Bonds4

About N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide

N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide (PubChem CID 173306267) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide.

Molecular Properties

Compound NameN-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide
PubChem CID173306267
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide
SMILESO=CNC1(O)CCC(N2CCN(C3CCNCC3)CC2)CC1
InChIInChI=1S/C16H30N4O2/c21-13-18-16(22)5-1-14(2-6-16)19-9-11-20(12-10-19)15-3-7-17-8-4-15/h13-15,17,22H,1-12H2,(H,18,21)
InChIKeyCHIHKNJEBGJJOH-UHFFFAOYSA-N
XLogP-0.27
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide?
The IUPAC name of N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide (CID 173306267) is N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide.
What is the SMILES notation for N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide?
The canonical SMILES for N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide is O=CNC1(O)CCC(N2CCN(C3CCNCC3)CC2)CC1.
What is the InChIKey of N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide?
The InChIKey is CHIHKNJEBGJJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c21-13-18-16(22)5-1-14(2-6-16)19-9-11-20(12-10-19)15-3-7-17-8-4-15/h13-15,17,22H,1-12H2,(H,18,21).
What are the key properties of N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide?
N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide has a molecular weight of 310.44 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-4-(4-piperidin-4-ylpiperazin-1-yl)cyclohexyl]formamide is sourced from PubChem (CID 173306267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).