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

C21H33N5 — CID 45190430

IUPACN-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCCn1cc(CN2CCCC(N(CC)Cc3ccncc3)C2)c(C)n1
InChIInChI=1S/C21H33N5/c1-4-12-26-16-20(18(3)23-26)15-24-13-6-7-21(17-24)25(5-2)14-19-8-10-22-11-9-19/h8-11,16,21H,4-7,12-15,17H2,1-3H3
InChIKeyNBRHBFKUGOFMRJ-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.48
Rot. Bonds8

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

N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine (PubChem CID 45190430) has the molecular formula C21H33N5 and a molecular weight of 355.53 g/mol. Its IUPAC name is N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
PubChem CID45190430
Molecular FormulaC21H33N5
Molecular Weight355.53 g/mol
Exact Mass355.27
IUPAC NameN-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCCn1cc(CN2CCCC(N(CC)Cc3ccncc3)C2)c(C)n1
InChIInChI=1S/C21H33N5/c1-4-12-26-16-20(18(3)23-26)15-24-13-6-7-21(17-24)25(5-2)14-19-8-10-22-11-9-19/h8-11,16,21H,4-7,12-15,17H2,1-3H3
InChIKeyNBRHBFKUGOFMRJ-UHFFFAOYSA-N
XLogP3.48
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-benzyl-N-[(2-methyl-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 166245265
(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 29088331
3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 75100634
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
CID 56901600
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219
1,3-benzodioxol-5-yl-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 24792971
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The IUPAC name of N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine (CID 45190430) is N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine is CCCn1cc(CN2CCCC(N(CC)Cc3ccncc3)C2)c(C)n1.
What is the InChIKey of N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The InChIKey is NBRHBFKUGOFMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5/c1-4-12-26-16-20(18(3)23-26)15-24-13-6-7-21(17-24)25(5-2)14-19-8-10-22-11-9-19/h8-11,16,21H,4-7,12-15,17H2,1-3H3.
What are the key properties of N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine?
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine has a molecular weight of 355.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 45190430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).