N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide

C17H28N4O2 — CID 128686364

IUPACN-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)NC3CCOC3(C)C)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-21-12-14(11-18-21)13-5-8-20(9-6-13)16(22)19-15-7-10-23-17(15,2)3/h11-13,15H,4-10H2,1-3H3,(H,19,22)
InChIKeyDDZQSXSCQVPFHI-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.36
Rot. Bonds3

About N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide

N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 128686364) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
PubChem CID128686364
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)NC3CCOC3(C)C)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-4-21-12-14(11-18-21)13-5-8-20(9-6-13)16(22)19-15-7-10-23-17(15,2)3/h11-13,15H,4-10H2,1-3H3,(H,19,22)
InChIKeyDDZQSXSCQVPFHI-UHFFFAOYSA-N
XLogP2.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US11179399, Example 19
CID 163200021
US11179399, Example 19_1
CID 163200022
US11179399, Example 19_2
CID 163200023
(2S,3S)-N-cyclopropyl-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97392012
(3R)-N-[(4-methoxyoxan-4-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124571375
1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 164640819
(4S,5R)-4-[[[(2S,6S)-2,6-dimethyloxan-4-yl]amino]methyl]-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129336777
3-fluoro-N-[[(2S,3R)-1-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 126826716
7,7-difluoro-6-methyl-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-azabicyclo[4.1.0]heptane-3-carboxamide
CID 128914698
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 128914803
1-[1-(4-fluorocyclohexyl)ethyl]-3-[[(2S,3S)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]urea
CID 132324966

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide (CID 128686364) is N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide is CCn1cc(C2CCN(C(=O)NC3CCOC3(C)C)CC2)cn1.
What is the InChIKey of N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is DDZQSXSCQVPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-21-12-14(11-18-21)13-5-8-20(9-6-13)16(22)19-15-7-10-23-17(15,2)3/h11-13,15H,4-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide?
N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128686364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).