N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine

C26H47N5 — CID 45239769

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCCn1ncc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1C
InChIInChI=1S/C26H47N5/c1-3-13-31-23(2)25(19-27-31)22-29(18-17-28-14-7-4-8-15-28)20-24-10-9-16-30(21-24)26-11-5-6-12-26/h19,24,26H,3-18,20-22H2,1-2H3
InChIKeyLDVSCPRIYRVWGN-UHFFFAOYSA-N
MW429.70 g/mol
LogP4.54
Rot. Bonds10

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 45239769) has the molecular formula C26H47N5 and a molecular weight of 429.70 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID45239769
Molecular FormulaC26H47N5
Molecular Weight429.70 g/mol
Exact Mass429.38
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCCCn1ncc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1C
InChIInChI=1S/C26H47N5/c1-3-13-31-23(2)25(19-27-31)22-29(18-17-28-14-7-4-8-15-28)20-24-10-9-16-30(21-24)26-11-5-6-12-26/h19,24,26H,3-18,20-22H2,1-2H3
InChIKeyLDVSCPRIYRVWGN-UHFFFAOYSA-N
XLogP4.54
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate
CID 45199470
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine
CID 29209386
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine
CID 29188747
1-[3-[[[(3S)-1-cyclopentylpiperidin-3-yl]methyl-(2-piperidin-1-ylethyl)amino]methyl]phenyl]ethanone
CID 28822180
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-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
CID 25379756
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 42198636
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide
CID 45186777
1-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45171055
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)pent-4-enamide
CID 45195885
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine (CID 45239769) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine is CCCn1ncc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)c1C.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is LDVSCPRIYRVWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N5/c1-3-13-31-23(2)25(19-27-31)22-29(18-17-28-14-7-4-8-15-28)20-24-10-9-16-30(21-24)26-11-5-6-12-26/h19,24,26H,3-18,20-22H2,1-2H3.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 429.70 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 45239769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).