N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine

C24H41N5S — CID 29209386

IUPACN-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCSc1ncc(CN(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)cn1
InChIInChI=1S/C24H41N5S/c1-30-24-25-16-22(17-26-24)19-28(15-14-27-11-5-2-6-12-27)18-21-8-7-13-29(20-21)23-9-3-4-10-23/h16-17,21,23H,2-15,18-20H2,1H3/t21-/m1/s1
InChIKeyUEOSNWPBVQJZGG-OAQYLSRUSA-N
MW431.69 g/mol
LogP4.14
Rot. Bonds9

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

N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 29209386) has the molecular formula C24H41N5S and a molecular weight of 431.69 g/mol. Its IUPAC name is N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID29209386
Molecular FormulaC24H41N5S
Molecular Weight431.69 g/mol
Exact Mass431.31
IUPAC NameN-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCSc1ncc(CN(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)cn1
InChIInChI=1S/C24H41N5S/c1-30-24-25-16-22(17-26-24)19-28(15-14-27-11-5-2-6-12-27)18-21-8-7-13-29(20-21)23-9-3-4-10-23/h16-17,21,23H,2-15,18-20H2,1H3/t21-/m1/s1
InChIKeyUEOSNWPBVQJZGG-OAQYLSRUSA-N
XLogP4.14
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.69
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
CID 45239769
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-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[[5-(methoxymethyl)furan-2-yl]methyl]-2-piperidin-1-ylethanamine
CID 29188747
ethyl 4-[[(1-cyclopentylpiperidin-3-yl)methyl-(2-piperidin-1-ylethyl)amino]methyl]-1H-pyrazole-5-carboxylate
CID 45199470
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methylsulfanyl-N-(2-piperidin-1-ylethyl)acetamide
CID 45186777
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 42198636
1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 42240373
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 45177698
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-ethyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 45221726
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 24817642

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine (CID 29209386) is N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine is CSc1ncc(CN(CCN2CCCCC2)C[C@H]2CCCN(C3CCCC3)C2)cn1.
What is the InChIKey of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is UEOSNWPBVQJZGG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H41N5S/c1-30-24-25-16-22(17-26-24)19-28(15-14-27-11-5-2-6-12-27)18-21-8-7-13-29(20-21)23-9-3-4-10-23/h16-17,21,23H,2-15,18-20H2,1H3/t21-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine?
N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 431.69 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclopentylpiperidin-3-yl]methyl]-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 29209386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).