4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile

C20H25N5O — CID 154736088

IUPAC4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)cc1
InChIInChI=1S/C20H25N5O/c21-12-16-3-5-19(6-4-16)25-7-1-2-17(15-25)20-18(13-22-23-20)14-24-8-10-26-11-9-24/h3-6,13,17H,1-2,7-11,14-15H2,(H,22,23)
InChIKeyVAXMDWMFVYOQIW-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.50
Rot. Bonds4

About 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile

4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile (PubChem CID 154736088) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile
PubChem CID154736088
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile
SMILESN#Cc1ccc(N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)cc1
InChIInChI=1S/C20H25N5O/c21-12-16-3-5-19(6-4-16)25-7-1-2-17(15-25)20-18(13-22-23-20)14-24-8-10-26-11-9-24/h3-6,13,17H,1-2,7-11,14-15H2,(H,22,23)
InChIKeyVAXMDWMFVYOQIW-UHFFFAOYSA-N
XLogP2.50
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 128974960
5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
CID 129476423
4-[[5-[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 154740983
4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129336500
4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129477125
4-[[5-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 167884798
4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129474874
2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 126804542
2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477557
(3-ethoxy-2-pyridinyl)-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 126817567
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]benzonitrile
CID 86776903
4-(3-fluoropiperidin-1-yl)benzonitrile
CID 105456209

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile?
The IUPAC name of 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile (CID 154736088) is 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile?
The canonical SMILES for 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile is N#Cc1ccc(N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)cc1.
What is the InChIKey of 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile?
The InChIKey is VAXMDWMFVYOQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-12-16-3-5-19(6-4-16)25-7-1-2-17(15-25)20-18(13-22-23-20)14-24-8-10-26-11-9-24/h3-6,13,17H,1-2,7-11,14-15H2,(H,22,23).
What are the key properties of 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile?
4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile has a molecular weight of 351.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile is sourced from PubChem (CID 154736088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).