(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone

C18H30N4O — CID 71869022

IUPAC(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)C2CCCN(CCCc3cn[nH]c3)C2)CC1
InChIInChI=1S/C18H30N4O/c1-15-6-10-22(11-7-15)18(23)17-5-3-9-21(14-17)8-2-4-16-12-19-20-13-16/h12-13,15,17H,2-11,14H2,1H3,(H,19,20)
InChIKeyKPWUFVDGPRYYJY-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.31
Rot. Bonds5

About (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone

(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone (PubChem CID 71869022) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone
PubChem CID71869022
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)C2CCCN(CCCc3cn[nH]c3)C2)CC1
InChIInChI=1S/C18H30N4O/c1-15-6-10-22(11-7-15)18(23)17-5-3-9-21(14-17)8-2-4-16-12-19-20-13-16/h12-13,15,17H,2-11,14H2,1H3,(H,19,20)
InChIKeyKPWUFVDGPRYYJY-UHFFFAOYSA-N
XLogP2.31
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone (CID 71869022) is (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone is CC1CCN(C(=O)C2CCCN(CCCc3cn[nH]c3)C2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone?
The InChIKey is KPWUFVDGPRYYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-6-10-22(11-7-15)18(23)17-5-3-9-21(14-17)8-2-4-16-12-19-20-13-16/h12-13,15,17H,2-11,14H2,1H3,(H,19,20).
What are the key properties of (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone?
(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone has a molecular weight of 318.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone is sourced from PubChem (CID 71869022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).