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

C23H41N5 — CID 45213984

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCn1cc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)cn1
InChIInChI=1S/C23H41N5/c1-25-17-22(16-24-25)19-27(15-14-26-11-5-2-6-12-26)18-21-8-7-13-28(20-21)23-9-3-4-10-23/h16-17,21,23H,2-15,18-20H2,1H3
InChIKeySRKUVUXTFZJBJM-UHFFFAOYSA-N
MW387.62 g/mol
LogP3.36
Rot. Bonds8

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

N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 45213984) has the molecular formula C23H41N5 and a molecular weight of 387.62 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID45213984
Molecular FormulaC23H41N5
Molecular Weight387.62 g/mol
Exact Mass387.34
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCn1cc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)cn1
InChIInChI=1S/C23H41N5/c1-25-17-22(16-24-25)19-27(15-14-26-11-5-2-6-12-26)18-21-8-7-13-28(20-21)23-9-3-4-10-23/h16-17,21,23H,2-15,18-20H2,1H3
InChIKeySRKUVUXTFZJBJM-UHFFFAOYSA-N
XLogP3.36
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine (CID 45213984) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine is Cn1cc(CN(CCN2CCCCC2)CC2CCCN(C3CCCC3)C2)cn1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is SRKUVUXTFZJBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5/c1-25-17-22(16-24-25)19-27(15-14-26-11-5-2-6-12-26)18-21-8-7-13-28(20-21)23-9-3-4-10-23/h16-17,21,23H,2-15,18-20H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 387.62 g/mol, XLogP of 3.36, 8 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-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 45213984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).