(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone

C30H33N5O — CID 26402942

IUPAC(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
SMILESCN(Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C30H33N5O/c1-33(22-25-8-5-15-31-21-25)29(20-24-6-3-2-4-7-24)26-13-17-34(18-14-26)30(36)27-9-11-28(12-10-27)35-19-16-32-23-35/h2-12,15-16,19,21,23,26,29H,13-14,17-18,20,22H2,1H3/t29-/m0/s1
InChIKeyQGADNIRAWRSIOO-LJAQVGFWSA-N
MW479.63 g/mol
LogP4.86
Rot. Bonds8

About (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone

(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone (PubChem CID 26402942) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
PubChem CID26402942
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
SMILESCN(Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C30H33N5O/c1-33(22-25-8-5-15-31-21-25)29(20-24-6-3-2-4-7-24)26-13-17-34(18-14-26)30(36)27-9-11-28(12-10-27)35-19-16-32-23-35/h2-12,15-16,19,21,23,26,29H,13-14,17-18,20,22H2,1H3/t29-/m0/s1
InChIKeyQGADNIRAWRSIOO-LJAQVGFWSA-N
XLogP4.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone
CID 42277931
2-(2-chlorophenoxy)-1-[4-[(1R)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]ethanone
CID 42407046
1-[4-[1-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-2-phenylethyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 45203432
[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 45183893
2-(dimethylamino)-N-methyl-N-[(1S)-2-phenyl-1-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]acetamide
CID 42419406
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 23285087
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
[4-[methyl(2-pyridin-3-ylethyl)amino]piperidin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone;trihydrochloride
CID 23285086
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone (CID 26402942) is (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone is CN(Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
The InChIKey is QGADNIRAWRSIOO-LJAQVGFWSA-N. The full InChI is InChI=1S/C30H33N5O/c1-33(22-25-8-5-15-31-21-25)29(20-24-6-3-2-4-7-24)26-13-17-34(18-14-26)30(36)27-9-11-28(12-10-27)35-19-16-32-23-35/h2-12,15-16,19,21,23,26,29H,13-14,17-18,20,22H2,1H3/t29-/m0/s1.
What are the key properties of (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone?
(4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone has a molecular weight of 479.63 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-[4-[(1S)-1-[methyl(pyridin-3-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 26402942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).