N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

C18H27N5O2 — CID 86799787

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C(c2ccco2)C1
InChIInChI=1S/C18H27N5O2/c1-14-6-9-23(15(13-14)16-5-4-12-25-16)18(24)19-17-7-8-22(20-17)11-10-21(2)3/h4-5,7-8,12,14-15H,6,9-11,13H2,1-3H3,(H,19,20,24)
InChIKeyYMWJSNXPNPLHKF-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 86799787) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID86799787
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C(c2ccco2)C1
InChIInChI=1S/C18H27N5O2/c1-14-6-9-23(15(13-14)16-5-4-12-25-16)18(24)19-17-7-8-22(20-17)11-10-21(2)3/h4-5,7-8,12,14-15H,6,9-11,13H2,1-3H3,(H,19,20,24)
InChIKeyYMWJSNXPNPLHKF-UHFFFAOYSA-N
XLogP3.04
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (CID 86799787) is N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C(c2ccco2)C1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is YMWJSNXPNPLHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-6-9-23(15(13-14)16-5-4-12-25-16)18(24)19-17-7-8-22(20-17)11-10-21(2)3/h4-5,7-8,12,14-15H,6,9-11,13H2,1-3H3,(H,19,20,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 86799787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).