1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine

C23H39N5 — CID 75100634

IUPAC1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCN(Cc1ccncc1)C1CCCN(CC2CNNC2C2CCCCC2)C1
InChIInChI=1S/C23H39N5/c1-2-28(16-19-10-12-24-13-11-19)22-9-6-14-27(18-22)17-21-15-25-26-23(21)20-7-4-3-5-8-20/h10-13,20-23,25-26H,2-9,14-18H2,1H3
InChIKeyJNWDGOLGKJZREQ-UHFFFAOYSA-N
MW385.60 g/mol
LogP3.04
Rot. Bonds7

About 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine

1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine (PubChem CID 75100634) has the molecular formula C23H39N5 and a molecular weight of 385.60 g/mol. Its IUPAC name is 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
PubChem CID75100634
Molecular FormulaC23H39N5
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC Name1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCN(Cc1ccncc1)C1CCCN(CC2CNNC2C2CCCCC2)C1
InChIInChI=1S/C23H39N5/c1-2-28(16-19-10-12-24-13-11-19)22-9-6-14-27(18-22)17-21-15-25-26-23(21)20-7-4-3-5-8-20/h10-13,20-23,25-26H,2-9,14-18H2,1H3
InChIKeyJNWDGOLGKJZREQ-UHFFFAOYSA-N
XLogP3.04
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine with MolForge

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Related Compounds

3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45190430
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45173407
(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 29088331
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
4-[(E)-3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]prop-1-enyl]-2-methoxyphenol
CID 45219982
(3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 95726941

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine (CID 75100634) is 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine is CCN(Cc1ccncc1)C1CCCN(CC2CNNC2C2CCCCC2)C1.
What is the InChIKey of 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The InChIKey is JNWDGOLGKJZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5/c1-2-28(16-19-10-12-24-13-11-19)22-9-6-14-27(18-22)17-21-15-25-26-23(21)20-7-4-3-5-8-20/h10-13,20-23,25-26H,2-9,14-18H2,1H3.
What are the key properties of 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine?
1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine has a molecular weight of 385.60 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 75100634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).