4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

C20H32N6O — CID 129474874

IUPAC4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESCc1nccn1CCCN1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1
InChIInChI=1S/C20H32N6O/c1-17-21-5-9-26(17)8-3-7-24-6-2-4-18(15-24)20-19(14-22-23-20)16-25-10-12-27-13-11-25/h5,9,14,18H,2-4,6-8,10-13,15-16H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyFRRDOUQEVJFMSA-SFHVURJKSA-N
MW372.52 g/mol
LogP2.02
Rot. Bonds7

About 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (PubChem CID 129474874) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
PubChem CID129474874
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESCc1nccn1CCCN1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1
InChIInChI=1S/C20H32N6O/c1-17-21-5-9-26(17)8-3-7-24-6-2-4-18(15-24)20-19(14-22-23-20)16-25-10-12-27-13-11-25/h5,9,14,18H,2-4,6-8,10-13,15-16H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyFRRDOUQEVJFMSA-SFHVURJKSA-N
XLogP2.02
TPSA62.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 154740983
4-[[5-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 128974960
4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129477125
2-(5-methoxy-2-pyridinyl)-1-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 126804542
4-[[5-[(3R)-1-(8-methylquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
CID 129336500
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
4-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]benzonitrile
CID 154736088
(3-ethoxy-2-pyridinyl)-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 126817567
2-[(3R)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 129477557
5-fluoro-2-[(3S)-3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
CID 129476423
(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
CID 97074751

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (CID 129474874) is 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is Cc1nccn1CCCN1CCC[C@H](c2[nH]ncc2CN2CCOCC2)C1.
What is the InChIKey of 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The InChIKey is FRRDOUQEVJFMSA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N6O/c1-17-21-5-9-26(17)8-3-7-24-6-2-4-18(15-24)20-19(14-22-23-20)16-25-10-12-27-13-11-25/h5,9,14,18H,2-4,6-8,10-13,15-16H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine has a molecular weight of 372.52 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 129474874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).