2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C21H30N6O2 — CID 129477557

IUPAC2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1)NCc1cccnc1
InChIInChI=1S/C21H30N6O2/c28-20(23-12-17-3-1-5-22-11-17)16-27-6-2-4-18(14-27)21-19(13-24-25-21)15-26-7-9-29-10-8-26/h1,3,5,11,13,18H,2,4,6-10,12,14-16H2,(H,23,28)(H,24,25)/t18-/m1/s1
InChIKeyRVFKBHDYMNXOOI-GOSISDBHSA-N
MW398.51 g/mol
LogP1.13
Rot. Bonds7

About 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 129477557) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID129477557
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1)NCc1cccnc1
InChIInChI=1S/C21H30N6O2/c28-20(23-12-17-3-1-5-22-11-17)16-27-6-2-4-18(14-27)21-19(13-24-25-21)15-26-7-9-29-10-8-26/h1,3,5,11,13,18H,2,4,6-10,12,14-16H2,(H,23,28)(H,24,25)/t18-/m1/s1
InChIKeyRVFKBHDYMNXOOI-GOSISDBHSA-N
XLogP1.13
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97004509
4-[[5-[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 154740983
(3-ethoxy-2-pyridinyl)-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 126817567
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 108994762
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029720
1-[3-[3-(1,4-oxazepan-4-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 110235220
3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 42511683
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129336500
2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 126804542
morpholin-4-yl-[5-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110082993
4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile
CID 154736088

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 129477557) is 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1CCC[C@@H](c2[nH]ncc2CN2CCOCC2)C1)NCc1cccnc1.
What is the InChIKey of 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RVFKBHDYMNXOOI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N6O2/c28-20(23-12-17-3-1-5-22-11-17)16-27-6-2-4-18(14-27)21-19(13-24-25-21)15-26-7-9-29-10-8-26/h1,3,5,11,13,18H,2,4,6-10,12,14-16H2,(H,23,28)(H,24,25)/t18-/m1/s1.
What are the key properties of 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 129477557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).