4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide

C18H24N4O2 — CID 146122949

IUPAC4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(C2CCN(C(=O)NCc3cnn(C)c3)CC2)c1
InChIInChI=1S/C18H24N4O2/c1-21-13-14(12-20-21)11-19-18(23)22-8-6-15(7-9-22)16-4-3-5-17(10-16)24-2/h3-5,10,12-13,15H,6-9,11H2,1-2H3,(H,19,23)
InChIKeySLPXAVBARYOPBB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.52
Rot. Bonds4

About 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide

4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 146122949) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
PubChem CID146122949
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(C2CCN(C(=O)NCc3cnn(C)c3)CC2)c1
InChIInChI=1S/C18H24N4O2/c1-21-13-14(12-20-21)11-19-18(23)22-8-6-15(7-9-22)16-4-3-5-17(10-16)24-2/h3-5,10,12-13,15H,6-9,11H2,1-2H3,(H,19,23)
InChIKeySLPXAVBARYOPBB-UHFFFAOYSA-N
XLogP2.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
4-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 139022313
[4-(3-methoxyphenyl)piperidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120929672
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
4-(2-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 119074163
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
2-methoxy-1-[4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 110479220
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 134042470

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide (CID 146122949) is 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide is COc1cccc(C2CCN(C(=O)NCc3cnn(C)c3)CC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is SLPXAVBARYOPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21-13-14(12-20-21)11-19-18(23)22-8-6-15(7-9-22)16-4-3-5-17(10-16)24-2/h3-5,10,12-13,15H,6-9,11H2,1-2H3,(H,19,23).
What are the key properties of 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide?
4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 146122949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).