[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone

C18H24N4O — CID 91829986

IUPAC[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1cnn(CCCN2CCCC(C(=O)c3ccccn3)C2)c1
InChIInChI=1S/C18H24N4O/c1-15-12-20-22(13-15)11-5-10-21-9-4-6-16(14-21)18(23)17-7-2-3-8-19-17/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3
InChIKeyVNUPUXCAJIDMQX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.57
Rot. Bonds6

About [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone

[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 91829986) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID91829986
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCc1cnn(CCCN2CCCC(C(=O)c3ccccn3)C2)c1
InChIInChI=1S/C18H24N4O/c1-15-12-20-22(13-15)11-5-10-21-9-4-6-16(14-21)18(23)17-7-2-3-8-19-17/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3
InChIKeyVNUPUXCAJIDMQX-UHFFFAOYSA-N
XLogP2.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753964
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99926517
2-[5-[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119074220
1-methyl-6-[[3-(pyridine-2-carbonyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663726
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
[(3S)-1-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95202414

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 91829986) is [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone is Cc1cnn(CCCN2CCCC(C(=O)c3ccccn3)C2)c1.
What is the InChIKey of [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is VNUPUXCAJIDMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-12-20-22(13-15)11-5-10-21-9-4-6-16(14-21)18(23)17-7-2-3-8-19-17/h2-3,7-8,12-13,16H,4-6,9-11,14H2,1H3.
What are the key properties of [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 312.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91829986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).