[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone

C25H34N4O — CID 28732391

IUPAC[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCN1CCC(N(C)c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C25H34N4O/c1-27-16-13-23(14-17-27)28(2)24-11-10-22(19-26-24)25(30)29-15-6-9-21(12-18-29)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21,23H,6,9,12-18H2,1-2H3/t21-/m1/s1
InChIKeyPUZNYJCFWTVBMJ-OAQYLSRUSA-N
MW406.57 g/mol
LogP4.02
Rot. Bonds4

About [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone

[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone (PubChem CID 28732391) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone.

Molecular Properties

Compound Name[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
PubChem CID28732391
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
SMILESCN1CCC(N(C)c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)CC1
InChIInChI=1S/C25H34N4O/c1-27-16-13-23(14-17-27)28(2)24-11-10-22(19-26-24)25(30)29-15-6-9-21(12-18-29)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21,23H,6,9,12-18H2,1-2H3/t21-/m1/s1
InChIKeyPUZNYJCFWTVBMJ-OAQYLSRUSA-N
XLogP4.02
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone with MolForge

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Related Compounds

[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45229742
N,N-dimethyl-2-[[5-[(4S)-4-phenylazepane-1-carbonyl]-2-pyridinyl]amino]acetamide
CID 95206898
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95218046
[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56862935
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
[6-[(4-hydroxycyclohexyl)amino]-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45224913
[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56753630
[6-[2-(methylamino)ethylamino]-3-pyridinyl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 95215160
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 45173718
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623
[6-(dimethylamino)-3-pyridinyl]-[4-(3-hydroxyphenyl)piperidin-1-yl]methanone
CID 74238538

Frequently Asked Questions

What is the IUPAC name of [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The IUPAC name of [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone (CID 28732391) is [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone.
What is the SMILES notation for [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The canonical SMILES for [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone is CN1CCC(N(C)c2ccc(C(=O)N3CCC[C@@H](c4ccccc4)CC3)cn2)CC1.
What is the InChIKey of [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
The InChIKey is PUZNYJCFWTVBMJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H34N4O/c1-27-16-13-23(14-17-27)28(2)24-11-10-22(19-26-24)25(30)29-15-6-9-21(12-18-29)20-7-4-3-5-8-20/h3-5,7-8,10-11,19,21,23H,6,9,12-18H2,1-2H3/t21-/m1/s1.
What are the key properties of [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone?
[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone has a molecular weight of 406.57 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone is sourced from PubChem (CID 28732391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).