[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

C22H30N4O2 — CID 97278548

IUPAC[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCOCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C22H30N4O2/c1-28-16-15-25-14-10-23-21(25)19-5-4-13-26(17-19)22(27)18-6-8-20(9-7-18)24-11-2-3-12-24/h6-10,14,19H,2-5,11-13,15-17H2,1H3/t19-/m0/s1
InChIKeyMAFTWGQPACYVKJ-IBGZPJMESA-N
MW382.51 g/mol
LogP3.15
Rot. Bonds6

About [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 97278548) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID97278548
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCOCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C22H30N4O2/c1-28-16-15-25-14-10-23-21(25)19-5-4-13-26(17-19)22(27)18-6-8-20(9-7-18)24-11-2-3-12-24/h6-10,14,19H,2-5,11-13,15-17H2,1H3/t19-/m0/s1
InChIKeyMAFTWGQPACYVKJ-IBGZPJMESA-N
XLogP3.15
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 72858370
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 72860979
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72937065
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
4-[[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 97122082
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280731
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 72863488
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 72915978
1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-methylsulfanyl-1,3-thiazol-4-yl)methanone
CID 97279430

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 97278548) is [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is COCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is MAFTWGQPACYVKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O2/c1-28-16-15-25-14-10-23-21(25)19-5-4-13-26(17-19)22(27)18-6-8-20(9-7-18)24-11-2-3-12-24/h6-10,14,19H,2-5,11-13,15-17H2,1H3/t19-/m0/s1.
What are the key properties of [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 382.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 97278548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).