[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone

C24H28N4O — CID 23285008

IUPAC[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
SMILESCN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1
InChIInChI=1S/C24H28N4O/c1-26(16-11-20-7-3-2-4-8-20)22-12-17-28(18-13-22)24(29)21-9-10-23(25-19-21)27-14-5-6-15-27/h2-10,14-15,19,22H,11-13,16-18H2,1H3
InChIKeyADEBQFZUAUJNHZ-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.65
Rot. Bonds6

About [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone

[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone (PubChem CID 23285008) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
PubChem CID23285008
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
SMILESCN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1
InChIInChI=1S/C24H28N4O/c1-26(16-11-20-7-3-2-4-8-20)22-12-17-28(18-13-22)24(29)21-9-10-23(25-19-21)27-14-5-6-15-27/h2-10,14-15,19,22H,11-13,16-18H2,1H3
InChIKeyADEBQFZUAUJNHZ-UHFFFAOYSA-N
XLogP3.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 23285129
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
[6-[2-hydroxyethyl(methyl)amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56754313
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95207332
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795

Frequently Asked Questions

What is the IUPAC name of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone (CID 23285008) is [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone is CN(CCc1ccccc1)C1CCN(C(=O)c2ccc(-n3cccc3)nc2)CC1.
What is the InChIKey of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone?
The InChIKey is ADEBQFZUAUJNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-26(16-11-20-7-3-2-4-8-20)22-12-17-28(18-13-22)24(29)21-9-10-23(25-19-21)27-14-5-6-15-27/h2-10,14-15,19,22H,11-13,16-18H2,1H3.
What are the key properties of [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone?
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone has a molecular weight of 388.52 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 23285008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).