N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C17H28N4O2 — CID 47557085

IUPACN-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC3(O)CCCCC3)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-20-12-14(11-18-20)16(22)19-15-5-9-21(10-6-15)13-17(23)7-3-2-4-8-17/h11-12,15,23H,2-10,13H2,1H3,(H,19,22)
InChIKeyGTSHOGIGXSAPJH-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.31
Rot. Bonds4

About N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 47557085) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID47557085
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC3(O)CCCCC3)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-20-12-14(11-18-20)16(22)19-15-5-9-21(10-6-15)13-17(23)7-3-2-4-8-17/h11-12,15,23H,2-10,13H2,1H3,(H,19,22)
InChIKeyGTSHOGIGXSAPJH-UHFFFAOYSA-N
XLogP1.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 47557085) is N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(CC3(O)CCCCC3)CC2)cn1.
What is the InChIKey of N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GTSHOGIGXSAPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20-12-14(11-18-20)16(22)19-15-5-9-21(10-6-15)13-17(23)7-3-2-4-8-17/h11-12,15,23H,2-10,13H2,1H3,(H,19,22).
What are the key properties of N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47557085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).