ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate

C25H43N5O2 — CID 45199470

IUPACethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1CN(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C25H43N5O2/c1-2-32-25(31)24-22(17-26-27-24)20-29(16-15-28-12-6-3-7-13-28)18-21-9-8-14-30(19-21)23-10-4-5-11-23/h17,21,23H,2-16,18-20H2,1H3,(H,26,27)
InChIKeyUUXGYHVIAJVYQC-UHFFFAOYSA-N
MW445.65 g/mol
LogP3.53
Rot. Bonds10

About ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate

ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate (PubChem CID 45199470) has the molecular formula C25H43N5O2 and a molecular weight of 445.65 g/mol. Its IUPAC name is ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate
PubChem CID45199470
Molecular FormulaC25H43N5O2
Molecular Weight445.65 g/mol
Exact Mass445.34
IUPAC Nameethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1[nH]ncc1CN(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C25H43N5O2/c1-2-32-25(31)24-22(17-26-27-24)20-29(16-15-28-12-6-3-7-13-28)18-21-9-8-14-30(19-21)23-10-4-5-11-23/h17,21,23H,2-16,18-20H2,1H3,(H,26,27)
InChIKeyUUXGYHVIAJVYQC-UHFFFAOYSA-N
XLogP3.53
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.65
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 45239769
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 29209386
1-[3-[[[(3S)-1-cyclopentylpiperidin-3-yl]methyl-(2-piperidin-1-ylethyl)amino]methyl]phenyl]ethanone
CID 28822180
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine
CID 29188747
1-[4-[[[(3S)-1-cyclopentylpiperidin-3-yl]methyl-(2-piperidin-1-ylethyl)amino]methyl]thiophen-2-yl]ethanone
CID 29085541
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 45221726
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide
CID 45186777
ethyl 4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate
CID 42096737
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide
CID 45195885
ethyl 4-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate
CID 25286557
ethyl 4-[[(3R)-3-(4-ethyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate
CID 95202974
1-N'-[(1-cyclopentylpiperidin-3-yl)methyl]-1-N'-(2-piperidin-1-ylethyl)cyclopropane-1,1-dicarboxamide
CID 45247149

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate (CID 45199470) is ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate is CCOC(=O)c1[nH]ncc1CN(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate?
The InChIKey is UUXGYHVIAJVYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O2/c1-2-32-25(31)24-22(17-26-27-24)20-29(16-15-28-12-6-3-7-13-28)18-21-9-8-14-30(19-21)23-10-4-5-11-23/h17,21,23H,2-16,18-20H2,1H3,(H,26,27).
What are the key properties of ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate?
ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate has a molecular weight of 445.65 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 45199470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).