N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

C20H34N4O2 — CID 154579004

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCCCn1nc(CCC(=O)NCCC2CCN(C)CC2)c2c1CCOC2
InChIInChI=1S/C20H34N4O2/c1-3-11-24-19-9-14-26-15-17(19)18(22-24)4-5-20(25)21-10-6-16-7-12-23(2)13-8-16/h16H,3-15H2,1-2H3,(H,21,25)
InChIKeyWDOVPAPBQADNQY-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.15
Rot. Bonds8

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (PubChem CID 154579004) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
PubChem CID154579004
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCCCn1nc(CCC(=O)NCCC2CCN(C)CC2)c2c1CCOC2
InChIInChI=1S/C20H34N4O2/c1-3-11-24-19-9-14-26-15-17(19)18(22-24)4-5-20(25)21-10-6-16-7-12-23(2)13-8-16/h16H,3-15H2,1-2H3,(H,21,25)
InChIKeyWDOVPAPBQADNQY-UHFFFAOYSA-N
XLogP2.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (CID 154579004) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is CCCn1nc(CCC(=O)NCCC2CCN(C)CC2)c2c1CCOC2.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The InChIKey is WDOVPAPBQADNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-3-11-24-19-9-14-26-15-17(19)18(22-24)4-5-20(25)21-10-6-16-7-12-23(2)13-8-16/h16H,3-15H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide has a molecular weight of 362.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 154579004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).