2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide

C19H30N4O3 — CID 124990011

IUPAC2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCC3CCOCC3)C2)n1
InChIInChI=1S/C19H30N4O3/c1-2-23-9-5-17(21-23)19(25)22-8-3-4-16(14-22)12-18(24)20-13-15-6-10-26-11-7-15/h5,9,15-16H,2-4,6-8,10-14H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyOYRJQJTWDUGOQV-MRXNPFEDSA-N
MW362.47 g/mol
LogP1.69
Rot. Bonds6

About 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide

2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 124990011) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
PubChem CID124990011
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCC3CCOCC3)C2)n1
InChIInChI=1S/C19H30N4O3/c1-2-23-9-5-17(21-23)19(25)22-8-3-4-16(14-22)12-18(24)20-13-15-6-10-26-11-7-15/h5,9,15-16H,2-4,6-8,10-14H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyOYRJQJTWDUGOQV-MRXNPFEDSA-N
XLogP1.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-(1-ethylpyrazole-3-carbonyl)-1-methyl-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125026841
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 110085839
2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 124993023
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124950270
2-[(3R)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124943780
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 110085800
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92590234
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110085786

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide (CID 124990011) is 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide is CCn1ccc(C(=O)N2CCC[C@H](CC(=O)NCC3CCOCC3)C2)n1.
What is the InChIKey of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is OYRJQJTWDUGOQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-2-23-9-5-17(21-23)19(25)22-8-3-4-16(14-22)12-18(24)20-13-15-6-10-26-11-7-15/h5,9,15-16H,2-4,6-8,10-14H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide?
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 124990011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).