4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide

C15H23ClN4O2 — CID 110018779

IUPAC4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C15H23ClN4O2/c16-11-9-17-20(10-11)13-5-7-19(8-6-13)15(22)18-12-1-3-14(21)4-2-12/h9-10,12-14,21H,1-8H2,(H,18,22)
InChIKeyQRNLXKHVUDTXKS-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.19
Rot. Bonds2

About 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide

4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (PubChem CID 110018779) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
PubChem CID110018779
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C15H23ClN4O2/c16-11-9-17-20(10-11)13-5-7-19(8-6-13)15(22)18-12-1-3-14(21)4-2-12/h9-10,12-14,21H,1-8H2,(H,18,22)
InChIKeyQRNLXKHVUDTXKS-UHFFFAOYSA-N
XLogP2.19
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide (CID 110018779) is 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCC(n2cc(Cl)cn2)CC1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
The InChIKey is QRNLXKHVUDTXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c16-11-9-17-20(10-11)13-5-7-19(8-6-13)15(22)18-12-1-3-14(21)4-2-12/h9-10,12-14,21H,1-8H2,(H,18,22).
What are the key properties of 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide?
4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide has a molecular weight of 326.83 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide is sourced from PubChem (CID 110018779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).