[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H35N5O2 — CID 96574005

IUPAC[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccn(CCN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1
InChIInChI=1S/C21H35N5O2/c1-18-4-10-26(22-18)12-11-23-8-5-20(6-9-23)25-7-2-3-19(17-25)21(27)24-13-15-28-16-14-24/h4,10,19-20H,2-3,5-9,11-17H2,1H3/t19-/m0/s1
InChIKeyGHWYWJSNIDMJKT-IBGZPJMESA-N
MW389.54 g/mol
LogP1.23
Rot. Bonds5

About [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 96574005) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID96574005
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccn(CCN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1
InChIInChI=1S/C21H35N5O2/c1-18-4-10-26(22-18)12-11-23-8-5-20(6-9-23)25-7-2-3-19(17-25)21(27)24-13-15-28-16-14-24/h4,10,19-20H,2-3,5-9,11-17H2,1H3/t19-/m0/s1
InChIKeyGHWYWJSNIDMJKT-IBGZPJMESA-N
XLogP1.23
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1'-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 16190633
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 16190708
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N-methyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817053
N-ethyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24819250
(3R*,5R*)-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72873135
7-(2-methoxyethyl)-2-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72884884
4-[1-[(2-Methylpyrazol-3-yl)methyl]piperidin-4-yl]morpholin-3-one
CID 134790541
4-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)-3-fluoropiperidine-3-carbonyl]morpholine
CID 132448496
4-[1-(1-Ethyl-1H-pyrazole-3-carbonyl)-3-fluoropiperidine-3-carbonyl]morpholine
CID 132448497
4-{1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-3-fluoropiperidine-3-carbonyl}morpholine
CID 132448501
4-{1-[(1-Ethyl-3-methyl-1H-pyrazol-4-YL)methyl]-3-fluoropiperidine-3-carbonyl}morpholine
CID 132448502
1-[3-(Morpholine-4-carbonyl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 134000129

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 96574005) is [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1ccn(CCN2CCC(N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)n1.
What is the InChIKey of [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is GHWYWJSNIDMJKT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H35N5O2/c1-18-4-10-26(22-18)12-11-23-8-5-20(6-9-23)25-7-2-3-19(17-25)21(27)24-13-15-28-16-14-24/h4,10,19-20H,2-3,5-9,11-17H2,1H3/t19-/m0/s1.
What are the key properties of [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 389.54 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 96574005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).