2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide

C16H26N4O2 — CID 97004492

IUPAC2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESCc1cc([C@H]2CCCN(CC(=O)NC[C@@H]3CCOC3)C2)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-12-7-15(19-18-12)14-3-2-5-20(9-14)10-16(21)17-8-13-4-6-22-11-13/h7,13-14H,2-6,8-11H2,1H3,(H,17,21)(H,18,19)/t13-,14-/m0/s1
InChIKeyYLZKXLWCNFVGMS-KBPBESRZSA-N
MW306.41 g/mol
LogP1.05
Rot. Bonds5

About 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide

2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide (PubChem CID 97004492) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
PubChem CID97004492
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
SMILESCc1cc([C@H]2CCCN(CC(=O)NC[C@@H]3CCOC3)C2)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-12-7-15(19-18-12)14-3-2-5-20(9-14)10-16(21)17-8-13-4-6-22-11-13/h7,13-14H,2-6,8-11H2,1H3,(H,17,21)(H,18,19)/t13-,14-/m0/s1
InChIKeyYLZKXLWCNFVGMS-KBPBESRZSA-N
XLogP1.05
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004525
N-(3-methyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004520
2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97004509
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 71926982
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71926963
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004522
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004521
2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98857976
2-[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 97008154
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 71872578
4-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 71926934
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 96514191

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide (CID 97004492) is 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide is Cc1cc([C@H]2CCCN(CC(=O)NC[C@@H]3CCOC3)C2)n[nH]1.
What is the InChIKey of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
The InChIKey is YLZKXLWCNFVGMS-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-7-15(19-18-12)14-3-2-5-20(9-14)10-16(21)17-8-13-4-6-22-11-13/h7,13-14H,2-6,8-11H2,1H3,(H,17,21)(H,18,19)/t13-,14-/m0/s1.
What are the key properties of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide?
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 97004492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).