[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone

C22H30N4O3 — CID 46955376

IUPAC[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCc1nccn1CC1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)CC1
InChIInChI=1S/C22H30N4O3/c1-18-23-8-11-26(18)17-22(28)6-9-25(10-7-22)21(27)20-5-3-2-4-19(20)16-24-12-14-29-15-13-24/h2-5,8,11,28H,6-7,9-10,12-17H2,1H3
InChIKeyTXMIFYLVMMDFSH-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.69
Rot. Bonds5

About [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone

[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 46955376) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID46955376
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
SMILESCc1nccn1CC1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)CC1
InChIInChI=1S/C22H30N4O3/c1-18-23-8-11-26(18)17-22(28)6-9-25(10-7-22)21(27)20-5-3-2-4-19(20)16-24-12-14-29-15-13-24/h2-5,8,11,28H,6-7,9-10,12-17H2,1H3
InChIKeyTXMIFYLVMMDFSH-UHFFFAOYSA-N
XLogP1.69
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

4-[(2-methylimidazol-1-yl)methyl]-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidin-4-ol
CID 110245443
(4R,5S)-4-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbonyl]-5-phenyloxolan-2-one
CID 92565731
4-[(2-methylimidazol-1-yl)methyl]-1-[(4-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
CID 92565798
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 92565758
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 124986654
CID 131887032
CID 131887032
(5S)-3-(4-fluorophenyl)-9-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 125008232
1-[[4-(4-fluorophenyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidin-4-ol
CID 92565801
1-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(2-methoxyphenoxy)butan-1-one
CID 110221634
[2-(morpholin-4-ylmethyl)phenyl]-[4-(quinolin-4-ylmethyl)azepan-1-yl]methanone
CID 110149354
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
(3R)-N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125008722

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone (CID 46955376) is [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone is Cc1nccn1CC1(O)CCN(C(=O)c2ccccc2CN2CCOCC2)CC1.
What is the InChIKey of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is TXMIFYLVMMDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-18-23-8-11-26(18)17-22(28)6-9-25(10-7-22)21(27)20-5-3-2-4-19(20)16-24-12-14-29-15-13-24/h2-5,8,11,28H,6-7,9-10,12-17H2,1H3.
What are the key properties of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone?
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 398.51 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 46955376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).