[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

C22H32N4O2 — CID 97268476

IUPAC[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)c(C)c1
InChIInChI=1S/C22H32N4O2/c1-17-15-19(28-4)8-9-20(17)22(27)26-12-5-7-18(16-26)21-23-10-14-25(21)13-6-11-24(2)3/h8-10,14-15,18H,5-7,11-13,16H2,1-4H3/t18-/m0/s1
InChIKeyVLPLRMVRZZZUHM-SFHVURJKSA-N
MW384.52 g/mol
LogP3.17
Rot. Bonds7

About [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 97268476) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID97268476
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)c(C)c1
InChIInChI=1S/C22H32N4O2/c1-17-15-19(28-4)8-9-20(17)22(27)26-12-5-7-18(16-26)21-23-10-14-25(21)13-6-11-24(2)3/h8-10,14-15,18H,5-7,11-13,16H2,1-4H3/t18-/m0/s1
InChIKeyVLPLRMVRZZZUHM-SFHVURJKSA-N
XLogP3.17
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72937065
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone
CID 97205887
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 72867995
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-ethoxyphenyl)methanone
CID 72906810
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 97271614
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97283595
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72854115
3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 97276128

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (CID 97268476) is [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCCN(C)C)C2)c(C)c1.
What is the InChIKey of [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is VLPLRMVRZZZUHM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17-15-19(28-4)8-9-20(17)22(27)26-12-5-7-18(16-26)21-23-10-14-25(21)13-6-11-24(2)3/h8-10,14-15,18H,5-7,11-13,16H2,1-4H3/t18-/m0/s1.
What are the key properties of [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 384.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 97268476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).