1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide

C16H24N4O3 — CID 47043527

IUPAC1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)CC3CCCO3)CC2)cn1
InChIInChI=1S/C16H24N4O3/c1-19-11-12(10-17-19)16(22)18-13-4-6-20(7-5-13)15(21)9-14-3-2-8-23-14/h10-11,13-14H,2-9H2,1H3,(H,18,22)
InChIKeyPMRBSVKKUKTKAE-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.71
Rot. Bonds4

About 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide

1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 47043527) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID47043527
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCN(C(=O)CC3CCCO3)CC2)cn1
InChIInChI=1S/C16H24N4O3/c1-19-11-12(10-17-19)16(22)18-13-4-6-20(7-5-13)15(21)9-14-3-2-8-23-14/h10-11,13-14H,2-9H2,1H3,(H,18,22)
InChIKeyPMRBSVKKUKTKAE-UHFFFAOYSA-N
XLogP0.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Oxolan-2-yl)-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572013
1-isopropyl-N-[2-(4-methylmorpholin-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 56722291
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 164633493
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(3S)-oxolan-3-yl]-N-propan-2-ylpyrazole-4-carboxamide
CID 164635686
[4-[Methyl(oxan-4-yl)amino]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 91916235
1-(2-Methyloxan-4-yl)pyrazole-4-carboxamide
CID 164945759
N-methyl-1-propan-2-yl-N-[3-(1-propan-2-ylpiperidin-4-yl)oxypropyl]pyrazole-4-carboxamide
CID 176629560
N-[3-(1-iodopiperidin-4-yl)oxypropyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 176933003
N-(3-cyclohexyloxypropyl)-1-methylpyrazole-4-carboxamide
CID 8136428
N-[[(2S)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 26315717
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 26315719
3-{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45227398

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 47043527) is 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCN(C(=O)CC3CCCO3)CC2)cn1.
What is the InChIKey of 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is PMRBSVKKUKTKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19-11-12(10-17-19)16(22)18-13-4-6-20(7-5-13)15(21)9-14-3-2-8-23-14/h10-11,13-14H,2-9H2,1H3,(H,18,22).
What are the key properties of 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 47043527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).